USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 6 CYS SG : rot -151:sc= 1.67 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.986 USER MOD Single : A 2 THR OG1 : rot 23:sc= 0.194 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.372 K(o=0.37,f=-1.4) USER MOD Single : A 17 SER OG : rot 180:sc= 0.605 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.1!) USER MOD Single : A 29 MET CE :methyl -147:sc= -2.92 (180deg=-5.36) USER MOD Single : A 32 THR OG1 : rot -80:sc= 1.16 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc=-0.00137 USER MOD Single : A 35 SER OG : rot -67:sc= 0.236 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= 1.16 (180deg=-0.0939) USER MOD Single : A 45 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.09) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.0237 (180deg=-0.193) USER MOD Single : A 49 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.64) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 82:sc= 1.22 USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= -0.0341 (180deg=-0.227) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.709 -2.278 -22.610 1.00 35.24 N ATOM 39 CA THR A 2 -6.413 -1.321 -21.605 1.00 64.14 C ATOM 40 C THR A 2 -7.177 -1.760 -20.389 1.00 71.31 C ATOM 41 O THR A 2 -8.417 -1.828 -20.423 1.00 50.40 O ATOM 42 CB THR A 2 -6.913 0.060 -22.031 1.00 70.52 C ATOM 43 OG1 THR A 2 -6.401 0.373 -23.342 1.00 4.15 O ATOM 44 CG2 THR A 2 -6.468 1.127 -21.043 1.00 51.43 C ATOM 0 HA THR A 2 -5.340 -1.256 -21.423 1.00 64.14 H new ATOM 0 HB THR A 2 -8.003 0.042 -22.052 1.00 70.52 H new ATOM 0 HG1 THR A 2 -6.173 -0.457 -23.811 1.00 4.15 H new ATOM 0 HG21 THR A 2 -6.836 2.100 -21.368 1.00 51.43 H new ATOM 0 HG22 THR A 2 -6.869 0.899 -20.056 1.00 51.43 H new ATOM 0 HG23 THR A 2 -5.379 1.148 -20.996 1.00 51.43 H new ATOM 52 N VAL A 3 -6.488 -2.077 -19.344 1.00 11.23 N ATOM 53 CA VAL A 3 -7.149 -2.613 -18.200 1.00 3.32 C ATOM 54 C VAL A 3 -7.205 -1.569 -17.116 1.00 0.21 C ATOM 55 O VAL A 3 -6.221 -0.861 -16.868 1.00 62.02 O ATOM 56 CB VAL A 3 -6.431 -3.861 -17.647 1.00 4.43 C ATOM 57 CG1 VAL A 3 -7.271 -4.551 -16.647 1.00 22.43 C ATOM 58 CG2 VAL A 3 -6.022 -4.831 -18.715 1.00 54.31 C ATOM 0 H VAL A 3 -5.477 -1.976 -19.257 1.00 11.23 H new ATOM 0 HA VAL A 3 -8.152 -2.905 -18.510 1.00 3.32 H new ATOM 0 HB VAL A 3 -5.519 -3.496 -17.175 1.00 4.43 H new ATOM 0 HG11 VAL A 3 -6.743 -5.428 -16.271 1.00 22.43 H new ATOM 0 HG12 VAL A 3 -7.483 -3.873 -15.820 1.00 22.43 H new ATOM 0 HG13 VAL A 3 -8.207 -4.862 -17.111 1.00 22.43 H new ATOM 0 HG21 VAL A 3 -5.523 -5.686 -18.258 1.00 54.31 H new ATOM 0 HG22 VAL A 3 -6.906 -5.173 -19.254 1.00 54.31 H new ATOM 0 HG23 VAL A 3 -5.340 -4.341 -19.410 1.00 54.31 H new ATOM 68 N TYR A 4 -8.345 -1.451 -16.495 1.00 45.53 N ATOM 69 CA TYR A 4 -8.540 -0.519 -15.440 1.00 30.44 C ATOM 70 C TYR A 4 -8.567 -1.273 -14.116 1.00 11.04 C ATOM 71 O TYR A 4 -9.199 -2.339 -14.008 1.00 0.44 O ATOM 72 CB TYR A 4 -9.840 0.248 -15.683 1.00 42.01 C ATOM 73 CG TYR A 4 -9.880 0.934 -17.044 1.00 63.33 C ATOM 74 CD1 TYR A 4 -10.330 0.254 -18.174 1.00 34.22 C ATOM 75 CD2 TYR A 4 -9.457 2.243 -17.205 1.00 33.50 C ATOM 76 CE1 TYR A 4 -10.362 0.855 -19.411 1.00 61.42 C ATOM 77 CE2 TYR A 4 -9.484 2.852 -18.446 1.00 11.32 C ATOM 78 CZ TYR A 4 -9.938 2.151 -19.545 1.00 52.11 C ATOM 79 OH TYR A 4 -9.963 2.752 -20.788 1.00 42.10 O ATOM 0 H TYR A 4 -9.169 -2.010 -16.716 1.00 45.53 H new ATOM 0 HA TYR A 4 -7.725 0.204 -15.404 1.00 30.44 H new ATOM 0 HB2 TYR A 4 -10.682 -0.440 -15.604 1.00 42.01 H new ATOM 0 HB3 TYR A 4 -9.966 0.997 -14.901 1.00 42.01 H new ATOM 0 HD1 TYR A 4 -10.662 -0.769 -18.076 1.00 34.22 H new ATOM 0 HD2 TYR A 4 -9.101 2.796 -16.349 1.00 33.50 H new ATOM 0 HE1 TYR A 4 -10.719 0.309 -20.271 1.00 61.42 H new ATOM 0 HE2 TYR A 4 -9.151 3.873 -18.555 1.00 11.32 H new ATOM 0 HH TYR A 4 -9.632 3.671 -20.714 1.00 42.10 H new ATOM 89 N ILE A 5 -7.855 -0.761 -13.136 1.00 22.53 N ATOM 90 CA ILE A 5 -7.754 -1.396 -11.830 1.00 33.13 C ATOM 91 C ILE A 5 -8.339 -0.466 -10.782 1.00 3.13 C ATOM 92 O ILE A 5 -7.937 0.696 -10.679 1.00 44.10 O ATOM 93 CB ILE A 5 -6.262 -1.658 -11.365 1.00 61.54 C ATOM 94 CG1 ILE A 5 -5.385 -2.513 -12.316 1.00 61.44 C ATOM 95 CG2 ILE A 5 -6.245 -2.311 -9.981 1.00 30.24 C ATOM 96 CD1 ILE A 5 -5.172 -1.991 -13.726 1.00 3.01 C ATOM 0 H ILE A 5 -7.327 0.108 -13.217 1.00 22.53 H new ATOM 0 HA ILE A 5 -8.278 -2.347 -11.923 1.00 33.13 H new ATOM 0 HB ILE A 5 -5.816 -0.664 -11.362 1.00 61.54 H new ATOM 0 HG12 ILE A 5 -4.407 -2.638 -11.851 1.00 61.44 H new ATOM 0 HG13 ILE A 5 -5.833 -3.504 -12.388 1.00 61.44 H new ATOM 0 HG21 ILE A 5 -5.214 -2.485 -9.674 1.00 30.24 H new ATOM 0 HG22 ILE A 5 -6.731 -1.652 -9.262 1.00 30.24 H new ATOM 0 HG23 ILE A 5 -6.778 -3.261 -10.020 1.00 30.24 H new ATOM 0 HD11 ILE A 5 -4.541 -2.686 -14.280 1.00 3.01 H new ATOM 0 HD12 ILE A 5 -6.135 -1.896 -14.228 1.00 3.01 H new ATOM 0 HD13 ILE A 5 -4.687 -1.016 -13.684 1.00 3.01 H new ATOM 108 N CYS A 6 -9.276 -0.941 -10.049 1.00 20.41 N ATOM 109 CA CYS A 6 -9.751 -0.241 -8.915 1.00 61.33 C ATOM 110 C CYS A 6 -9.678 -1.164 -7.730 1.00 25.01 C ATOM 111 O CYS A 6 -10.538 -2.035 -7.562 1.00 23.32 O ATOM 112 CB CYS A 6 -11.155 0.295 -9.089 1.00 22.44 C ATOM 113 SG CYS A 6 -11.771 1.202 -7.659 1.00 41.14 S ATOM 0 H CYS A 6 -9.739 -1.834 -10.220 1.00 20.41 H new ATOM 0 HA CYS A 6 -9.120 0.635 -8.766 1.00 61.33 H new ATOM 0 HB2 CYS A 6 -11.178 0.950 -9.960 1.00 22.44 H new ATOM 0 HB3 CYS A 6 -11.828 -0.537 -9.297 1.00 22.44 H new ATOM 0 HG CYS A 6 -13.065 1.095 -7.602 1.00 41.14 H new ATOM 119 N PRO A 7 -8.645 -1.031 -6.898 1.00 51.14 N ATOM 120 CA PRO A 7 -8.486 -1.873 -5.718 1.00 0.54 C ATOM 121 C PRO A 7 -9.522 -1.553 -4.638 1.00 42.30 C ATOM 122 O PRO A 7 -9.591 -2.227 -3.607 1.00 20.42 O ATOM 123 CB PRO A 7 -7.074 -1.537 -5.226 1.00 70.34 C ATOM 124 CG PRO A 7 -6.807 -0.164 -5.733 1.00 22.32 C ATOM 125 CD PRO A 7 -7.530 -0.059 -7.043 1.00 52.24 C ATOM 0 HA PRO A 7 -8.628 -2.929 -5.947 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -7.016 -1.574 -4.138 1.00 70.34 H new ATOM 0 HB3 PRO A 7 -6.343 -2.249 -5.609 1.00 70.34 H new ATOM 0 HG2 PRO A 7 -7.164 0.588 -5.029 1.00 22.32 H new ATOM 0 HG3 PRO A 7 -5.738 0.003 -5.863 1.00 22.32 H new ATOM 0 HD2 PRO A 7 -7.898 0.952 -7.219 1.00 52.24 H new ATOM 0 HD3 PRO A 7 -6.882 -0.313 -7.882 1.00 52.24 H new ATOM 133 N GLU A 8 -10.327 -0.534 -4.887 1.00 34.15 N ATOM 134 CA GLU A 8 -11.309 -0.096 -3.938 1.00 42.02 C ATOM 135 C GLU A 8 -12.639 -0.771 -4.199 1.00 2.22 C ATOM 136 O GLU A 8 -13.033 -1.700 -3.506 1.00 42.41 O ATOM 137 CB GLU A 8 -11.520 1.417 -4.031 1.00 64.13 C ATOM 138 CG GLU A 8 -10.259 2.219 -4.034 1.00 1.34 C ATOM 139 CD GLU A 8 -10.519 3.700 -3.978 1.00 11.14 C ATOM 140 OE1 GLU A 8 -10.984 4.283 -4.987 1.00 64.03 O ATOM 141 OE2 GLU A 8 -10.285 4.307 -2.909 1.00 11.45 O ATOM 0 H GLU A 8 -10.310 0.005 -5.753 1.00 34.15 H new ATOM 0 HA GLU A 8 -10.942 -0.359 -2.946 1.00 42.02 H new ATOM 0 HB2 GLU A 8 -12.079 1.638 -4.941 1.00 64.13 H new ATOM 0 HB3 GLU A 8 -12.138 1.737 -3.192 1.00 64.13 H new ATOM 0 HG2 GLU A 8 -9.645 1.928 -3.181 1.00 1.34 H new ATOM 0 HG3 GLU A 8 -9.687 1.987 -4.932 1.00 1.34 H new ATOM 148 N THR A 9 -13.296 -0.322 -5.238 1.00 74.44 N ATOM 149 CA THR A 9 -14.646 -0.713 -5.525 1.00 41.25 C ATOM 150 C THR A 9 -14.740 -1.786 -6.597 1.00 54.43 C ATOM 151 O THR A 9 -15.819 -2.362 -6.827 1.00 44.43 O ATOM 152 CB THR A 9 -15.439 0.526 -5.934 1.00 33.04 C ATOM 153 OG1 THR A 9 -14.781 1.160 -7.048 1.00 75.14 O ATOM 154 CG2 THR A 9 -15.481 1.505 -4.778 1.00 42.43 C ATOM 0 H THR A 9 -12.901 0.332 -5.914 1.00 74.44 H new ATOM 0 HA THR A 9 -15.066 -1.155 -4.622 1.00 41.25 H new ATOM 0 HB THR A 9 -16.452 0.233 -6.209 1.00 33.04 H new ATOM 0 HG1 THR A 9 -15.286 1.956 -7.316 1.00 75.14 H new ATOM 0 HG21 THR A 9 -16.047 2.389 -5.070 1.00 42.43 H new ATOM 0 HG22 THR A 9 -15.961 1.034 -3.920 1.00 42.43 H new ATOM 0 HG23 THR A 9 -14.465 1.797 -4.511 1.00 42.43 H new ATOM 162 N GLY A 10 -13.634 -2.067 -7.251 1.00 3.12 N ATOM 163 CA GLY A 10 -13.654 -3.098 -8.247 1.00 63.11 C ATOM 164 C GLY A 10 -13.317 -4.429 -7.635 1.00 43.23 C ATOM 165 O GLY A 10 -13.279 -4.559 -6.402 1.00 51.32 O ATOM 0 H GLY A 10 -12.735 -1.606 -7.112 1.00 3.12 H new ATOM 0 HA2 GLY A 10 -14.639 -3.144 -8.711 1.00 63.11 H new ATOM 0 HA3 GLY A 10 -12.940 -2.863 -9.036 1.00 63.11 H new ATOM 169 N ASP A 11 -13.044 -5.388 -8.456 1.00 41.32 N ATOM 170 CA ASP A 11 -12.821 -6.753 -8.037 1.00 4.24 C ATOM 171 C ASP A 11 -12.239 -7.489 -9.200 1.00 3.33 C ATOM 172 O ASP A 11 -12.595 -7.207 -10.339 1.00 25.52 O ATOM 173 CB ASP A 11 -14.136 -7.408 -7.614 1.00 14.42 C ATOM 174 CG ASP A 11 -13.929 -8.779 -7.044 1.00 14.00 C ATOM 175 OD1 ASP A 11 -13.943 -9.750 -7.806 1.00 30.24 O ATOM 176 OD2 ASP A 11 -13.742 -8.896 -5.830 1.00 33.34 O ATOM 0 H ASP A 11 -12.965 -5.252 -9.464 1.00 41.32 H new ATOM 0 HA ASP A 11 -12.146 -6.778 -7.182 1.00 4.24 H new ATOM 0 HB2 ASP A 11 -14.631 -6.780 -6.874 1.00 14.42 H new ATOM 0 HB3 ASP A 11 -14.802 -7.471 -8.475 1.00 14.42 H new ATOM 181 N ASP A 12 -11.335 -8.409 -8.956 1.00 50.20 N ATOM 182 CA ASP A 12 -10.684 -9.105 -10.074 1.00 3.34 C ATOM 183 C ASP A 12 -11.571 -10.165 -10.714 1.00 12.22 C ATOM 184 O ASP A 12 -11.207 -10.758 -11.727 1.00 52.21 O ATOM 185 CB ASP A 12 -9.290 -9.654 -9.740 1.00 42.11 C ATOM 186 CG ASP A 12 -9.273 -10.759 -8.729 1.00 13.45 C ATOM 187 OD1 ASP A 12 -9.357 -11.932 -9.119 1.00 24.33 O ATOM 188 OD2 ASP A 12 -9.120 -10.471 -7.538 1.00 25.13 O ATOM 0 H ASP A 12 -11.031 -8.697 -8.026 1.00 50.20 H new ATOM 0 HA ASP A 12 -10.527 -8.328 -10.822 1.00 3.34 H new ATOM 0 HB2 ASP A 12 -8.828 -10.015 -10.659 1.00 42.11 H new ATOM 0 HB3 ASP A 12 -8.672 -8.835 -9.372 1.00 42.11 H new ATOM 193 N GLY A 13 -12.743 -10.377 -10.144 1.00 22.15 N ATOM 194 CA GLY A 13 -13.709 -11.278 -10.730 1.00 44.24 C ATOM 195 C GLY A 13 -14.510 -10.582 -11.813 1.00 55.33 C ATOM 196 O GLY A 13 -15.343 -11.192 -12.480 1.00 73.41 O ATOM 0 H GLY A 13 -13.046 -9.936 -9.276 1.00 22.15 H new ATOM 0 HA2 GLY A 13 -13.197 -12.144 -11.150 1.00 44.24 H new ATOM 0 HA3 GLY A 13 -14.381 -11.650 -9.957 1.00 44.24 H new ATOM 200 N ASN A 14 -14.248 -9.293 -11.980 1.00 15.22 N ATOM 201 CA ASN A 14 -14.888 -8.478 -13.000 1.00 61.53 C ATOM 202 C ASN A 14 -14.306 -8.739 -14.374 1.00 12.13 C ATOM 203 O ASN A 14 -13.452 -9.605 -14.548 1.00 73.43 O ATOM 204 CB ASN A 14 -14.771 -6.982 -12.671 1.00 14.22 C ATOM 205 CG ASN A 14 -15.656 -6.544 -11.527 1.00 60.32 C ATOM 206 OD1 ASN A 14 -16.723 -7.107 -11.310 1.00 51.22 O ATOM 207 ND2 ASN A 14 -15.240 -5.532 -10.810 1.00 62.44 N ATOM 0 H ASN A 14 -13.579 -8.780 -11.405 1.00 15.22 H new ATOM 0 HA ASN A 14 -15.941 -8.760 -13.010 1.00 61.53 H new ATOM 0 HB2 ASN A 14 -13.734 -6.752 -12.426 1.00 14.22 H new ATOM 0 HB3 ASN A 14 -15.025 -6.402 -13.558 1.00 14.22 H new ATOM 0 HD21 ASN A 14 -15.810 -5.185 -10.039 1.00 62.44 H new ATOM 0 HD22 ASN A 14 -14.346 -5.090 -11.022 1.00 62.44 H new ATOM 214 N ASP A 15 -14.763 -7.981 -15.343 1.00 52.44 N ATOM 215 CA ASP A 15 -14.327 -8.125 -16.735 1.00 33.41 C ATOM 216 C ASP A 15 -13.051 -7.325 -17.002 1.00 12.32 C ATOM 217 O ASP A 15 -12.320 -7.595 -17.957 1.00 15.10 O ATOM 218 CB ASP A 15 -15.451 -7.656 -17.674 1.00 23.02 C ATOM 219 CG ASP A 15 -15.082 -7.735 -19.144 1.00 13.45 C ATOM 220 OD1 ASP A 15 -15.180 -8.824 -19.736 1.00 11.35 O ATOM 221 OD2 ASP A 15 -14.704 -6.715 -19.723 1.00 21.23 O ATOM 0 H ASP A 15 -15.450 -7.241 -15.200 1.00 52.44 H new ATOM 0 HA ASP A 15 -14.107 -9.176 -16.922 1.00 33.41 H new ATOM 0 HB2 ASP A 15 -16.339 -8.263 -17.497 1.00 23.02 H new ATOM 0 HB3 ASP A 15 -15.714 -6.627 -17.428 1.00 23.02 H new ATOM 226 N GLY A 16 -12.748 -6.403 -16.115 1.00 64.23 N ATOM 227 CA GLY A 16 -11.657 -5.507 -16.325 1.00 33.14 C ATOM 228 C GLY A 16 -11.931 -4.439 -17.345 1.00 64.22 C ATOM 229 O GLY A 16 -11.258 -4.353 -18.369 1.00 64.33 O ATOM 0 H GLY A 16 -13.252 -6.262 -15.239 1.00 64.23 H new ATOM 0 HA2 GLY A 16 -11.402 -5.033 -15.377 1.00 33.14 H new ATOM 0 HA3 GLY A 16 -10.785 -6.080 -16.640 1.00 33.14 H new ATOM 233 N SER A 17 -12.894 -3.634 -17.067 1.00 31.20 N ATOM 234 CA SER A 17 -13.241 -2.534 -17.909 1.00 14.40 C ATOM 235 C SER A 17 -13.188 -1.273 -17.075 1.00 33.32 C ATOM 236 O SER A 17 -12.798 -1.331 -15.905 1.00 53.35 O ATOM 237 CB SER A 17 -14.631 -2.758 -18.478 1.00 12.35 C ATOM 238 OG SER A 17 -15.583 -2.918 -17.438 1.00 5.10 O ATOM 0 H SER A 17 -13.476 -3.719 -16.234 1.00 31.20 H new ATOM 0 HA SER A 17 -12.546 -2.442 -18.744 1.00 14.40 H new ATOM 0 HB2 SER A 17 -14.912 -1.913 -19.107 1.00 12.35 H new ATOM 0 HB3 SER A 17 -14.630 -3.643 -19.115 1.00 12.35 H new ATOM 0 HG SER A 17 -16.471 -3.059 -17.827 1.00 5.10 H new ATOM 244 N GLU A 18 -13.559 -0.145 -17.644 1.00 74.20 N ATOM 245 CA GLU A 18 -13.553 1.079 -16.904 1.00 71.10 C ATOM 246 C GLU A 18 -14.682 1.052 -15.855 1.00 45.14 C ATOM 247 O GLU A 18 -14.559 1.617 -14.761 1.00 73.34 O ATOM 248 CB GLU A 18 -13.702 2.269 -17.853 1.00 43.11 C ATOM 249 CG GLU A 18 -13.540 3.600 -17.179 1.00 13.11 C ATOM 250 CD GLU A 18 -13.658 4.767 -18.122 1.00 10.11 C ATOM 251 OE1 GLU A 18 -12.633 5.194 -18.702 1.00 21.31 O ATOM 252 OE2 GLU A 18 -14.768 5.298 -18.278 1.00 44.12 O ATOM 0 H GLU A 18 -13.866 -0.060 -18.613 1.00 74.20 H new ATOM 0 HA GLU A 18 -12.602 1.188 -16.383 1.00 71.10 H new ATOM 0 HB2 GLU A 18 -12.963 2.182 -18.650 1.00 43.11 H new ATOM 0 HB3 GLU A 18 -14.684 2.227 -18.324 1.00 43.11 H new ATOM 0 HG2 GLU A 18 -14.293 3.697 -16.397 1.00 13.11 H new ATOM 0 HG3 GLU A 18 -12.567 3.635 -16.690 1.00 13.11 H new ATOM 259 N LEU A 19 -15.768 0.372 -16.194 1.00 4.52 N ATOM 260 CA LEU A 19 -16.887 0.242 -15.291 1.00 21.30 C ATOM 261 C LEU A 19 -16.752 -0.946 -14.368 1.00 24.21 C ATOM 262 O LEU A 19 -17.303 -0.949 -13.277 1.00 41.42 O ATOM 263 CB LEU A 19 -18.182 0.178 -16.041 1.00 21.41 C ATOM 264 CG LEU A 19 -18.535 1.433 -16.813 1.00 1.24 C ATOM 265 CD1 LEU A 19 -19.867 1.268 -17.428 1.00 43.31 C ATOM 266 CD2 LEU A 19 -18.522 2.669 -15.911 1.00 51.12 C ATOM 0 H LEU A 19 -15.892 -0.097 -17.091 1.00 4.52 H new ATOM 0 HA LEU A 19 -16.887 1.136 -14.668 1.00 21.30 H new ATOM 0 HB2 LEU A 19 -18.141 -0.660 -16.737 1.00 21.41 H new ATOM 0 HB3 LEU A 19 -18.984 -0.034 -15.334 1.00 21.41 H new ATOM 0 HG LEU A 19 -17.784 1.583 -17.589 1.00 1.24 H new ATOM 0 HD11 LEU A 19 -20.125 2.169 -17.985 1.00 43.31 H new ATOM 0 HD12 LEU A 19 -19.852 0.415 -18.106 1.00 43.31 H new ATOM 0 HD13 LEU A 19 -20.609 1.098 -16.648 1.00 43.31 H new ATOM 0 HD21 LEU A 19 -18.780 3.551 -16.498 1.00 51.12 H new ATOM 0 HD22 LEU A 19 -19.249 2.542 -15.109 1.00 51.12 H new ATOM 0 HD23 LEU A 19 -17.528 2.796 -15.483 1.00 51.12 H new ATOM 278 N LYS A 20 -16.018 -1.960 -14.794 1.00 23.32 N ATOM 279 CA LYS A 20 -15.775 -3.121 -13.940 1.00 73.43 C ATOM 280 C LYS A 20 -14.292 -3.362 -13.838 1.00 4.04 C ATOM 281 O LYS A 20 -13.764 -4.268 -14.478 1.00 72.10 O ATOM 282 CB LYS A 20 -16.429 -4.386 -14.488 1.00 52.43 C ATOM 283 CG LYS A 20 -17.897 -4.244 -14.843 1.00 20.35 C ATOM 284 CD LYS A 20 -18.467 -5.573 -15.292 1.00 53.20 C ATOM 285 CE LYS A 20 -19.928 -5.449 -15.669 1.00 41.30 C ATOM 286 NZ LYS A 20 -20.526 -6.762 -15.995 1.00 70.53 N ATOM 0 H LYS A 20 -15.582 -2.008 -15.715 1.00 23.32 H new ATOM 0 HA LYS A 20 -16.209 -2.904 -12.964 1.00 73.43 H new ATOM 0 HB2 LYS A 20 -15.884 -4.703 -15.377 1.00 52.43 H new ATOM 0 HB3 LYS A 20 -16.324 -5.181 -13.750 1.00 52.43 H new ATOM 0 HG2 LYS A 20 -18.452 -3.877 -13.979 1.00 20.35 H new ATOM 0 HG3 LYS A 20 -18.015 -3.505 -15.635 1.00 20.35 H new ATOM 0 HD2 LYS A 20 -17.900 -5.944 -16.146 1.00 53.20 H new ATOM 0 HD3 LYS A 20 -18.357 -6.306 -14.493 1.00 53.20 H new ATOM 0 HE2 LYS A 20 -20.478 -4.994 -14.846 1.00 41.30 H new ATOM 0 HE3 LYS A 20 -20.027 -4.782 -16.526 1.00 41.30 H new ATOM 0 HZ1 LYS A 20 -21.527 -6.635 -16.248 1.00 70.53 H new ATOM 0 HZ2 LYS A 20 -20.017 -7.186 -16.797 1.00 70.53 H new ATOM 0 HZ3 LYS A 20 -20.455 -7.390 -15.169 1.00 70.53 H new ATOM 300 N PRO A 21 -13.594 -2.541 -13.093 1.00 2.42 N ATOM 301 CA PRO A 21 -12.165 -2.673 -12.931 1.00 22.11 C ATOM 302 C PRO A 21 -11.822 -3.801 -11.962 1.00 11.33 C ATOM 303 O PRO A 21 -12.631 -4.154 -11.074 1.00 1.42 O ATOM 304 CB PRO A 21 -11.765 -1.321 -12.357 1.00 22.34 C ATOM 305 CG PRO A 21 -12.959 -0.876 -11.602 1.00 11.43 C ATOM 306 CD PRO A 21 -14.133 -1.391 -12.341 1.00 63.24 C ATOM 0 HA PRO A 21 -11.648 -2.921 -13.858 1.00 22.11 H new ATOM 0 HB2 PRO A 21 -10.893 -1.407 -11.708 1.00 22.34 H new ATOM 0 HB3 PRO A 21 -11.507 -0.614 -13.146 1.00 22.34 H new ATOM 0 HG2 PRO A 21 -12.941 -1.262 -10.583 1.00 11.43 H new ATOM 0 HG3 PRO A 21 -12.991 0.211 -11.530 1.00 11.43 H new ATOM 0 HD2 PRO A 21 -14.932 -1.694 -11.664 1.00 63.24 H new ATOM 0 HD3 PRO A 21 -14.550 -0.636 -13.008 1.00 63.24 H new ATOM 314 N LEU A 22 -10.668 -4.403 -12.141 1.00 21.54 N ATOM 315 CA LEU A 22 -10.239 -5.441 -11.255 1.00 51.34 C ATOM 316 C LEU A 22 -9.676 -4.833 -10.004 1.00 43.22 C ATOM 317 O LEU A 22 -9.425 -3.644 -9.955 1.00 43.11 O ATOM 318 CB LEU A 22 -9.201 -6.343 -11.903 1.00 24.53 C ATOM 319 CG LEU A 22 -9.540 -6.885 -13.279 1.00 41.53 C ATOM 320 CD1 LEU A 22 -10.961 -7.401 -13.400 1.00 53.24 C ATOM 321 CD2 LEU A 22 -9.153 -5.932 -14.359 1.00 52.21 C ATOM 0 H LEU A 22 -10.015 -4.186 -12.894 1.00 21.54 H new ATOM 0 HA LEU A 22 -11.106 -6.056 -11.013 1.00 51.34 H new ATOM 0 HB2 LEU A 22 -8.265 -5.789 -11.976 1.00 24.53 H new ATOM 0 HB3 LEU A 22 -9.021 -7.188 -11.238 1.00 24.53 H new ATOM 0 HG LEU A 22 -8.925 -7.774 -13.419 1.00 41.53 H new ATOM 0 HD11 LEU A 22 -11.129 -7.772 -14.411 1.00 53.24 H new ATOM 0 HD12 LEU A 22 -11.116 -8.210 -12.686 1.00 53.24 H new ATOM 0 HD13 LEU A 22 -11.661 -6.592 -13.189 1.00 53.24 H new ATOM 0 HD21 LEU A 22 -9.412 -6.357 -15.329 1.00 52.21 H new ATOM 0 HD22 LEU A 22 -9.685 -4.991 -14.221 1.00 52.21 H new ATOM 0 HD23 LEU A 22 -8.079 -5.751 -14.317 1.00 52.21 H new ATOM 333 N ARG A 23 -9.460 -5.640 -9.011 1.00 1.41 N ATOM 334 CA ARG A 23 -8.983 -5.140 -7.739 1.00 31.31 C ATOM 335 C ARG A 23 -7.476 -5.328 -7.604 1.00 12.52 C ATOM 336 O ARG A 23 -6.873 -4.910 -6.613 1.00 71.23 O ATOM 337 CB ARG A 23 -9.727 -5.829 -6.591 1.00 13.41 C ATOM 338 CG ARG A 23 -9.514 -7.325 -6.509 1.00 74.13 C ATOM 339 CD ARG A 23 -10.307 -7.956 -5.375 1.00 64.23 C ATOM 340 NE ARG A 23 -10.211 -9.418 -5.418 1.00 32.45 N ATOM 341 CZ ARG A 23 -10.825 -10.271 -4.592 1.00 72.21 C ATOM 342 NH1 ARG A 23 -11.561 -9.829 -3.581 1.00 14.34 N ATOM 343 NH2 ARG A 23 -10.702 -11.578 -4.788 1.00 12.24 N ATOM 0 H ARG A 23 -9.604 -6.649 -9.047 1.00 1.41 H new ATOM 0 HA ARG A 23 -9.185 -4.070 -7.692 1.00 31.31 H new ATOM 0 HB2 ARG A 23 -9.412 -5.379 -5.650 1.00 13.41 H new ATOM 0 HB3 ARG A 23 -10.794 -5.633 -6.697 1.00 13.41 H new ATOM 0 HG2 ARG A 23 -9.805 -7.784 -7.454 1.00 74.13 H new ATOM 0 HG3 ARG A 23 -8.453 -7.532 -6.368 1.00 74.13 H new ATOM 0 HD2 ARG A 23 -9.933 -7.591 -4.418 1.00 64.23 H new ATOM 0 HD3 ARG A 23 -11.352 -7.654 -5.445 1.00 64.23 H new ATOM 0 HE ARG A 23 -9.621 -9.822 -6.146 1.00 32.45 H new ATOM 0 HH11 ARG A 23 -11.664 -8.826 -3.426 1.00 14.34 H new ATOM 0 HH12 ARG A 23 -12.024 -10.492 -2.959 1.00 14.34 H new ATOM 0 HH21 ARG A 23 -10.141 -11.927 -5.566 1.00 12.24 H new ATOM 0 HH22 ARG A 23 -11.168 -12.234 -4.161 1.00 12.24 H new ATOM 357 N THR A 24 -6.876 -5.946 -8.600 1.00 52.34 N ATOM 358 CA THR A 24 -5.464 -6.210 -8.592 1.00 43.53 C ATOM 359 C THR A 24 -4.857 -5.926 -9.950 1.00 4.02 C ATOM 360 O THR A 24 -5.509 -6.115 -10.993 1.00 45.32 O ATOM 361 CB THR A 24 -5.165 -7.681 -8.199 1.00 44.32 C ATOM 362 OG1 THR A 24 -5.954 -8.580 -9.005 1.00 32.21 O ATOM 363 CG2 THR A 24 -5.425 -7.934 -6.720 1.00 34.12 C ATOM 0 H THR A 24 -7.359 -6.277 -9.435 1.00 52.34 H new ATOM 0 HA THR A 24 -5.018 -5.549 -7.849 1.00 43.53 H new ATOM 0 HB THR A 24 -4.107 -7.865 -8.384 1.00 44.32 H new ATOM 0 HG1 THR A 24 -5.757 -9.506 -8.751 1.00 32.21 H new ATOM 0 HG21 THR A 24 -5.204 -8.975 -6.485 1.00 34.12 H new ATOM 0 HG22 THR A 24 -4.787 -7.283 -6.122 1.00 34.12 H new ATOM 0 HG23 THR A 24 -6.470 -7.725 -6.493 1.00 34.12 H new ATOM 371 N LEU A 25 -3.627 -5.470 -9.939 1.00 11.41 N ATOM 372 CA LEU A 25 -2.874 -5.232 -11.147 1.00 23.32 C ATOM 373 C LEU A 25 -2.419 -6.583 -11.711 1.00 30.42 C ATOM 374 O LEU A 25 -2.143 -6.728 -12.906 1.00 51.11 O ATOM 375 CB LEU A 25 -1.689 -4.316 -10.822 1.00 3.14 C ATOM 376 CG LEU A 25 -0.768 -3.917 -11.970 1.00 53.02 C ATOM 377 CD1 LEU A 25 -1.552 -3.271 -13.104 1.00 44.31 C ATOM 378 CD2 LEU A 25 0.285 -2.961 -11.449 1.00 53.45 C ATOM 0 H LEU A 25 -3.116 -5.252 -9.083 1.00 11.41 H new ATOM 0 HA LEU A 25 -3.482 -4.735 -11.903 1.00 23.32 H new ATOM 0 HB2 LEU A 25 -2.083 -3.403 -10.375 1.00 3.14 H new ATOM 0 HB3 LEU A 25 -1.083 -4.808 -10.061 1.00 3.14 H new ATOM 0 HG LEU A 25 -0.290 -4.813 -12.367 1.00 53.02 H new ATOM 0 HD11 LEU A 25 -0.869 -2.997 -13.908 1.00 44.31 H new ATOM 0 HD12 LEU A 25 -2.293 -3.975 -13.481 1.00 44.31 H new ATOM 0 HD13 LEU A 25 -2.056 -2.377 -12.735 1.00 44.31 H new ATOM 0 HD21 LEU A 25 0.948 -2.671 -12.264 1.00 53.45 H new ATOM 0 HD22 LEU A 25 -0.199 -2.074 -11.041 1.00 53.45 H new ATOM 0 HD23 LEU A 25 0.865 -3.450 -10.666 1.00 53.45 H new ATOM 390 N TYR A 26 -2.381 -7.567 -10.821 1.00 22.11 N ATOM 391 CA TYR A 26 -2.094 -8.943 -11.155 1.00 1.34 C ATOM 392 C TYR A 26 -3.097 -9.468 -12.198 1.00 23.13 C ATOM 393 O TYR A 26 -2.695 -10.032 -13.210 1.00 71.44 O ATOM 394 CB TYR A 26 -2.180 -9.778 -9.872 1.00 5.42 C ATOM 395 CG TYR A 26 -1.864 -11.246 -10.026 1.00 62.20 C ATOM 396 CD1 TYR A 26 -0.560 -11.675 -10.101 1.00 51.51 C ATOM 397 CD2 TYR A 26 -2.869 -12.205 -10.060 1.00 62.02 C ATOM 398 CE1 TYR A 26 -0.254 -13.006 -10.210 1.00 33.13 C ATOM 399 CE2 TYR A 26 -2.569 -13.546 -10.172 1.00 44.21 C ATOM 400 CZ TYR A 26 -1.257 -13.940 -10.244 1.00 64.51 C ATOM 401 OH TYR A 26 -0.945 -15.278 -10.348 1.00 1.12 O ATOM 0 H TYR A 26 -2.554 -7.420 -9.827 1.00 22.11 H new ATOM 0 HA TYR A 26 -1.095 -9.017 -11.585 1.00 1.34 H new ATOM 0 HB2 TYR A 26 -1.497 -9.353 -9.137 1.00 5.42 H new ATOM 0 HB3 TYR A 26 -3.186 -9.682 -9.464 1.00 5.42 H new ATOM 0 HD1 TYR A 26 0.239 -10.949 -10.073 1.00 51.51 H new ATOM 0 HD2 TYR A 26 -3.902 -11.895 -9.998 1.00 62.02 H new ATOM 0 HE1 TYR A 26 0.778 -13.320 -10.269 1.00 33.13 H new ATOM 0 HE2 TYR A 26 -3.360 -14.280 -10.203 1.00 44.21 H new ATOM 0 HH TYR A 26 -1.770 -15.807 -10.358 1.00 1.12 H new ATOM 411 N GLN A 27 -4.400 -9.249 -11.962 1.00 50.33 N ATOM 412 CA GLN A 27 -5.432 -9.718 -12.895 1.00 31.31 C ATOM 413 C GLN A 27 -5.290 -9.031 -14.249 1.00 52.11 C ATOM 414 O GLN A 27 -5.474 -9.655 -15.287 1.00 31.11 O ATOM 415 CB GLN A 27 -6.840 -9.511 -12.320 1.00 64.33 C ATOM 416 CG GLN A 27 -7.992 -9.940 -13.249 1.00 15.30 C ATOM 417 CD GLN A 27 -7.954 -11.404 -13.655 1.00 23.03 C ATOM 418 OE1 GLN A 27 -7.474 -12.261 -12.922 1.00 14.44 O ATOM 419 NE2 GLN A 27 -8.470 -11.689 -14.829 1.00 11.30 N ATOM 0 H GLN A 27 -4.759 -8.757 -11.144 1.00 50.33 H new ATOM 0 HA GLN A 27 -5.288 -10.789 -13.040 1.00 31.31 H new ATOM 0 HB2 GLN A 27 -6.920 -10.067 -11.386 1.00 64.33 H new ATOM 0 HB3 GLN A 27 -6.965 -8.456 -12.075 1.00 64.33 H new ATOM 0 HG2 GLN A 27 -8.940 -9.737 -12.751 1.00 15.30 H new ATOM 0 HG3 GLN A 27 -7.967 -9.325 -14.148 1.00 15.30 H new ATOM 0 HE21 GLN A 27 -8.860 -10.946 -15.409 1.00 11.30 H new ATOM 0 HE22 GLN A 27 -8.481 -12.653 -15.161 1.00 11.30 H new ATOM 428 N ALA A 28 -4.932 -7.758 -14.222 1.00 52.30 N ATOM 429 CA ALA A 28 -4.720 -6.979 -15.416 1.00 54.14 C ATOM 430 C ALA A 28 -3.659 -7.630 -16.307 1.00 50.33 C ATOM 431 O ALA A 28 -3.803 -7.685 -17.539 1.00 74.12 O ATOM 432 CB ALA A 28 -4.324 -5.565 -15.030 1.00 22.32 C ATOM 0 H ALA A 28 -4.781 -7.237 -13.358 1.00 52.30 H new ATOM 0 HA ALA A 28 -5.646 -6.940 -15.990 1.00 54.14 H new ATOM 0 HB1 ALA A 28 -4.163 -4.973 -15.931 1.00 22.32 H new ATOM 0 HB2 ALA A 28 -5.119 -5.114 -14.437 1.00 22.32 H new ATOM 0 HB3 ALA A 28 -3.405 -5.592 -14.444 1.00 22.32 H new ATOM 438 N MET A 29 -2.616 -8.146 -15.686 1.00 62.35 N ATOM 439 CA MET A 29 -1.584 -8.848 -16.394 1.00 11.24 C ATOM 440 C MET A 29 -2.044 -10.195 -16.910 1.00 54.01 C ATOM 441 O MET A 29 -1.597 -10.628 -17.941 1.00 30.12 O ATOM 442 CB MET A 29 -0.335 -8.999 -15.566 1.00 21.14 C ATOM 443 CG MET A 29 0.505 -7.748 -15.455 1.00 65.21 C ATOM 444 SD MET A 29 1.995 -8.045 -14.556 1.00 43.23 S ATOM 445 CE MET A 29 2.813 -6.526 -14.891 1.00 11.01 C ATOM 0 H MET A 29 -2.468 -8.086 -14.679 1.00 62.35 H new ATOM 0 HA MET A 29 -1.345 -8.231 -17.260 1.00 11.24 H new ATOM 0 HB2 MET A 29 -0.617 -9.321 -14.563 1.00 21.14 H new ATOM 0 HB3 MET A 29 0.276 -9.793 -15.996 1.00 21.14 H new ATOM 0 HG2 MET A 29 0.748 -7.382 -16.453 1.00 65.21 H new ATOM 0 HG3 MET A 29 -0.070 -6.966 -14.960 1.00 65.21 H new ATOM 0 HE1 MET A 29 3.888 -6.697 -14.949 1.00 11.01 H new ATOM 0 HE2 MET A 29 2.458 -6.123 -15.840 1.00 11.01 H new ATOM 0 HE3 MET A 29 2.601 -5.815 -14.093 1.00 11.01 H new ATOM 455 N ILE A 30 -2.936 -10.846 -16.192 1.00 44.10 N ATOM 456 CA ILE A 30 -3.460 -12.153 -16.615 1.00 14.21 C ATOM 457 C ILE A 30 -4.286 -11.996 -17.893 1.00 51.31 C ATOM 458 O ILE A 30 -4.146 -12.761 -18.850 1.00 35.05 O ATOM 459 CB ILE A 30 -4.363 -12.789 -15.518 1.00 53.34 C ATOM 460 CG1 ILE A 30 -3.601 -12.918 -14.194 1.00 72.35 C ATOM 461 CG2 ILE A 30 -4.877 -14.159 -15.970 1.00 52.21 C ATOM 462 CD1 ILE A 30 -4.426 -13.501 -13.074 1.00 22.40 C ATOM 0 H ILE A 30 -3.320 -10.502 -15.312 1.00 44.10 H new ATOM 0 HA ILE A 30 -2.605 -12.806 -16.791 1.00 14.21 H new ATOM 0 HB ILE A 30 -5.218 -12.132 -15.361 1.00 53.34 H new ATOM 0 HG12 ILE A 30 -2.722 -13.544 -14.350 1.00 72.35 H new ATOM 0 HG13 ILE A 30 -3.242 -11.934 -13.894 1.00 72.35 H new ATOM 0 HG21 ILE A 30 -5.506 -14.587 -15.190 1.00 52.21 H new ATOM 0 HG22 ILE A 30 -5.460 -14.046 -16.884 1.00 52.21 H new ATOM 0 HG23 ILE A 30 -4.032 -14.821 -16.158 1.00 52.21 H new ATOM 0 HD11 ILE A 30 -3.821 -13.562 -12.170 1.00 22.40 H new ATOM 0 HD12 ILE A 30 -5.291 -12.864 -12.890 1.00 22.40 H new ATOM 0 HD13 ILE A 30 -4.764 -14.499 -13.352 1.00 22.40 H new ATOM 474 N ILE A 31 -5.125 -10.981 -17.895 1.00 3.31 N ATOM 475 CA ILE A 31 -6.026 -10.712 -18.991 1.00 21.21 C ATOM 476 C ILE A 31 -5.267 -10.373 -20.285 1.00 54.45 C ATOM 477 O ILE A 31 -5.668 -10.780 -21.382 1.00 40.22 O ATOM 478 CB ILE A 31 -6.963 -9.528 -18.649 1.00 23.43 C ATOM 479 CG1 ILE A 31 -7.719 -9.804 -17.361 1.00 52.42 C ATOM 480 CG2 ILE A 31 -7.951 -9.316 -19.764 1.00 30.31 C ATOM 481 CD1 ILE A 31 -8.640 -8.687 -16.952 1.00 31.43 C ATOM 0 H ILE A 31 -5.200 -10.314 -17.127 1.00 3.31 H new ATOM 0 HA ILE A 31 -6.608 -11.620 -19.148 1.00 21.21 H new ATOM 0 HB ILE A 31 -6.353 -8.633 -18.523 1.00 23.43 H new ATOM 0 HG12 ILE A 31 -8.301 -10.718 -17.480 1.00 52.42 H new ATOM 0 HG13 ILE A 31 -7.002 -9.984 -16.560 1.00 52.42 H new ATOM 0 HG21 ILE A 31 -8.606 -8.481 -19.516 1.00 30.31 H new ATOM 0 HG22 ILE A 31 -7.416 -9.095 -20.687 1.00 30.31 H new ATOM 0 HG23 ILE A 31 -8.548 -10.218 -19.898 1.00 30.31 H new ATOM 0 HD11 ILE A 31 -9.146 -8.954 -16.024 1.00 31.43 H new ATOM 0 HD12 ILE A 31 -8.062 -7.776 -16.801 1.00 31.43 H new ATOM 0 HD13 ILE A 31 -9.381 -8.521 -17.734 1.00 31.43 H new ATOM 493 N THR A 32 -4.177 -9.654 -20.145 1.00 1.53 N ATOM 494 CA THR A 32 -3.441 -9.155 -21.291 1.00 30.23 C ATOM 495 C THR A 32 -2.199 -10.005 -21.631 1.00 74.52 C ATOM 496 O THR A 32 -1.923 -10.269 -22.803 1.00 44.22 O ATOM 497 CB THR A 32 -3.001 -7.703 -21.028 1.00 3.32 C ATOM 498 OG1 THR A 32 -2.212 -7.662 -19.820 1.00 21.23 O ATOM 499 CG2 THR A 32 -4.212 -6.794 -20.860 1.00 73.22 C ATOM 0 H THR A 32 -3.776 -9.398 -19.243 1.00 1.53 H new ATOM 0 HA THR A 32 -4.115 -9.210 -22.146 1.00 30.23 H new ATOM 0 HB THR A 32 -2.416 -7.355 -21.879 1.00 3.32 H new ATOM 0 HG1 THR A 32 -2.806 -7.670 -19.041 1.00 21.23 H new ATOM 0 HG21 THR A 32 -3.878 -5.773 -20.675 1.00 73.22 H new ATOM 0 HG22 THR A 32 -4.815 -6.820 -21.768 1.00 73.22 H new ATOM 0 HG23 THR A 32 -4.811 -7.138 -20.017 1.00 73.22 H new ATOM 507 N LYS A 33 -1.465 -10.410 -20.578 1.00 63.50 N ATOM 508 CA LYS A 33 -0.201 -11.126 -20.641 1.00 20.02 C ATOM 509 C LYS A 33 0.885 -10.241 -21.312 1.00 33.41 C ATOM 510 O LYS A 33 1.967 -10.701 -21.697 1.00 43.32 O ATOM 511 CB LYS A 33 -0.361 -12.486 -21.336 1.00 44.44 C ATOM 512 CG LYS A 33 0.834 -13.389 -21.126 1.00 12.32 C ATOM 513 CD LYS A 33 0.713 -14.706 -21.869 1.00 11.13 C ATOM 514 CE LYS A 33 -0.483 -15.528 -21.402 1.00 52.31 C ATOM 515 NZ LYS A 33 -0.582 -16.808 -22.132 1.00 34.34 N ATOM 0 H LYS A 33 -1.762 -10.232 -19.618 1.00 63.50 H new ATOM 0 HA LYS A 33 0.130 -11.339 -19.625 1.00 20.02 H new ATOM 0 HB2 LYS A 33 -1.256 -12.980 -20.958 1.00 44.44 H new ATOM 0 HB3 LYS A 33 -0.510 -12.329 -22.404 1.00 44.44 H new ATOM 0 HG2 LYS A 33 1.736 -12.873 -21.455 1.00 12.32 H new ATOM 0 HG3 LYS A 33 0.951 -13.587 -20.061 1.00 12.32 H new ATOM 0 HD2 LYS A 33 0.621 -14.510 -22.937 1.00 11.13 H new ATOM 0 HD3 LYS A 33 1.626 -15.285 -21.728 1.00 11.13 H new ATOM 0 HE2 LYS A 33 -0.395 -15.724 -20.333 1.00 52.31 H new ATOM 0 HE3 LYS A 33 -1.398 -14.954 -21.547 1.00 52.31 H new ATOM 0 HZ1 LYS A 33 -1.407 -17.341 -21.788 1.00 34.34 H new ATOM 0 HZ2 LYS A 33 -0.690 -16.620 -23.149 1.00 34.34 H new ATOM 0 HZ3 LYS A 33 0.281 -17.366 -21.973 1.00 34.34 H new ATOM 529 N SER A 34 0.607 -8.949 -21.385 1.00 11.24 N ATOM 530 CA SER A 34 1.507 -8.021 -22.029 1.00 73.30 C ATOM 531 C SER A 34 2.560 -7.492 -21.044 1.00 24.35 C ATOM 532 O SER A 34 3.614 -7.018 -21.466 1.00 0.12 O ATOM 533 CB SER A 34 0.697 -6.853 -22.582 1.00 23.44 C ATOM 534 OG SER A 34 -0.370 -7.308 -23.408 1.00 31.12 O ATOM 0 H SER A 34 -0.238 -8.524 -21.004 1.00 11.24 H new ATOM 0 HA SER A 34 2.027 -8.540 -22.834 1.00 73.30 H new ATOM 0 HB2 SER A 34 0.296 -6.264 -21.758 1.00 23.44 H new ATOM 0 HB3 SER A 34 1.349 -6.195 -23.156 1.00 23.44 H new ATOM 0 HG SER A 34 -0.873 -6.538 -23.747 1.00 31.12 H new ATOM 540 N SER A 35 2.275 -7.608 -19.732 1.00 64.32 N ATOM 541 CA SER A 35 3.156 -7.121 -18.631 1.00 53.43 C ATOM 542 C SER A 35 3.322 -5.569 -18.621 1.00 73.53 C ATOM 543 O SER A 35 3.035 -4.909 -17.638 1.00 63.44 O ATOM 544 CB SER A 35 4.530 -7.816 -18.669 1.00 60.53 C ATOM 545 OG SER A 35 4.388 -9.223 -18.576 1.00 43.01 O ATOM 0 H SER A 35 1.418 -8.046 -19.394 1.00 64.32 H new ATOM 0 HA SER A 35 2.654 -7.387 -17.701 1.00 53.43 H new ATOM 0 HB2 SER A 35 5.047 -7.559 -19.594 1.00 60.53 H new ATOM 0 HB3 SER A 35 5.148 -7.454 -17.847 1.00 60.53 H new ATOM 0 HG SER A 35 4.043 -9.459 -17.690 1.00 43.01 H new ATOM 551 N LYS A 36 3.749 -5.031 -19.728 1.00 35.51 N ATOM 552 CA LYS A 36 4.037 -3.620 -19.888 1.00 13.05 C ATOM 553 C LYS A 36 2.958 -2.929 -20.729 1.00 74.33 C ATOM 554 O LYS A 36 3.180 -1.847 -21.283 1.00 72.05 O ATOM 555 CB LYS A 36 5.418 -3.467 -20.546 1.00 52.04 C ATOM 556 CG LYS A 36 5.561 -4.200 -21.876 1.00 62.10 C ATOM 557 CD LYS A 36 6.952 -4.032 -22.455 1.00 4.10 C ATOM 558 CE LYS A 36 7.111 -4.810 -23.747 1.00 53.23 C ATOM 559 NZ LYS A 36 8.463 -4.658 -24.324 1.00 22.14 N ATOM 0 H LYS A 36 3.914 -5.574 -20.576 1.00 35.51 H new ATOM 0 HA LYS A 36 4.042 -3.141 -18.909 1.00 13.05 H new ATOM 0 HB2 LYS A 36 5.617 -2.407 -20.705 1.00 52.04 H new ATOM 0 HB3 LYS A 36 6.179 -3.835 -19.858 1.00 52.04 H new ATOM 0 HG2 LYS A 36 5.351 -5.260 -21.733 1.00 62.10 H new ATOM 0 HG3 LYS A 36 4.823 -3.821 -22.583 1.00 62.10 H new ATOM 0 HD2 LYS A 36 7.146 -2.975 -22.639 1.00 4.10 H new ATOM 0 HD3 LYS A 36 7.693 -4.371 -21.731 1.00 4.10 H new ATOM 0 HE2 LYS A 36 6.913 -5.866 -23.561 1.00 53.23 H new ATOM 0 HE3 LYS A 36 6.369 -4.469 -24.469 1.00 53.23 H new ATOM 0 HZ1 LYS A 36 8.528 -5.206 -25.206 1.00 22.14 H new ATOM 0 HZ2 LYS A 36 8.643 -3.654 -24.526 1.00 22.14 H new ATOM 0 HZ3 LYS A 36 9.171 -5.007 -23.647 1.00 22.14 H new ATOM 573 N GLY A 37 1.789 -3.545 -20.791 1.00 1.13 N ATOM 574 CA GLY A 37 0.670 -2.969 -21.527 1.00 13.00 C ATOM 575 C GLY A 37 0.115 -1.742 -20.819 1.00 23.31 C ATOM 576 O GLY A 37 0.655 -1.318 -19.787 1.00 5.44 O ATOM 0 H GLY A 37 1.588 -4.439 -20.344 1.00 1.13 H new ATOM 0 HA2 GLY A 37 0.994 -2.696 -22.531 1.00 13.00 H new ATOM 0 HA3 GLY A 37 -0.117 -3.715 -21.638 1.00 13.00 H new ATOM 580 N ASP A 38 -0.943 -1.171 -21.328 1.00 65.34 N ATOM 581 CA ASP A 38 -1.480 0.013 -20.700 1.00 43.34 C ATOM 582 C ASP A 38 -2.458 -0.385 -19.614 1.00 33.22 C ATOM 583 O ASP A 38 -3.532 -0.947 -19.875 1.00 51.35 O ATOM 584 CB ASP A 38 -2.128 0.946 -21.732 1.00 31.44 C ATOM 585 CG ASP A 38 -2.555 2.283 -21.141 1.00 74.13 C ATOM 586 OD1 ASP A 38 -1.694 2.970 -20.530 1.00 51.21 O ATOM 587 OD2 ASP A 38 -3.733 2.671 -21.296 1.00 24.33 O ATOM 0 H ASP A 38 -1.443 -1.494 -22.156 1.00 65.34 H new ATOM 0 HA ASP A 38 -0.663 0.570 -20.242 1.00 43.34 H new ATOM 0 HB2 ASP A 38 -1.425 1.123 -22.546 1.00 31.44 H new ATOM 0 HB3 ASP A 38 -2.998 0.452 -22.164 1.00 31.44 H new ATOM 592 N PHE A 39 -2.066 -0.116 -18.400 1.00 73.24 N ATOM 593 CA PHE A 39 -2.840 -0.451 -17.243 1.00 75.14 C ATOM 594 C PHE A 39 -3.077 0.809 -16.459 1.00 40.03 C ATOM 595 O PHE A 39 -2.117 1.524 -16.111 1.00 13.41 O ATOM 596 CB PHE A 39 -2.096 -1.477 -16.369 1.00 2.40 C ATOM 597 CG PHE A 39 -1.705 -2.744 -17.092 1.00 11.35 C ATOM 598 CD1 PHE A 39 -2.661 -3.627 -17.521 1.00 33.30 C ATOM 599 CD2 PHE A 39 -0.378 -3.048 -17.328 1.00 30.34 C ATOM 600 CE1 PHE A 39 -2.313 -4.789 -18.174 1.00 5.12 C ATOM 601 CE2 PHE A 39 -0.022 -4.205 -17.980 1.00 23.32 C ATOM 602 CZ PHE A 39 -0.989 -5.076 -18.404 1.00 21.13 C ATOM 0 H PHE A 39 -1.184 0.350 -18.186 1.00 73.24 H new ATOM 0 HA PHE A 39 -3.787 -0.895 -17.551 1.00 75.14 H new ATOM 0 HB2 PHE A 39 -1.197 -1.010 -15.967 1.00 2.40 H new ATOM 0 HB3 PHE A 39 -2.727 -1.738 -15.519 1.00 2.40 H new ATOM 0 HD1 PHE A 39 -3.704 -3.409 -17.344 1.00 33.30 H new ATOM 0 HD2 PHE A 39 0.391 -2.367 -16.995 1.00 30.34 H new ATOM 0 HE1 PHE A 39 -3.080 -5.474 -18.505 1.00 5.12 H new ATOM 0 HE2 PHE A 39 1.020 -4.426 -18.157 1.00 23.32 H new ATOM 0 HZ PHE A 39 -0.713 -5.985 -18.917 1.00 21.13 H new ATOM 612 N LEU A 40 -4.311 1.095 -16.184 1.00 42.10 N ATOM 613 CA LEU A 40 -4.662 2.310 -15.500 1.00 71.53 C ATOM 614 C LEU A 40 -5.352 1.994 -14.197 1.00 34.43 C ATOM 615 O LEU A 40 -6.362 1.294 -14.172 1.00 10.41 O ATOM 616 CB LEU A 40 -5.568 3.164 -16.370 1.00 31.23 C ATOM 617 CG LEU A 40 -5.035 3.543 -17.757 1.00 61.14 C ATOM 618 CD1 LEU A 40 -6.070 4.346 -18.510 1.00 63.44 C ATOM 619 CD2 LEU A 40 -3.739 4.331 -17.648 1.00 62.10 C ATOM 0 H LEU A 40 -5.103 0.499 -16.424 1.00 42.10 H new ATOM 0 HA LEU A 40 -3.748 2.866 -15.292 1.00 71.53 H new ATOM 0 HB2 LEU A 40 -6.511 2.634 -16.501 1.00 31.23 H new ATOM 0 HB3 LEU A 40 -5.791 4.083 -15.829 1.00 31.23 H new ATOM 0 HG LEU A 40 -4.828 2.623 -18.305 1.00 61.14 H new ATOM 0 HD11 LEU A 40 -5.681 4.610 -19.493 1.00 63.44 H new ATOM 0 HD12 LEU A 40 -6.977 3.753 -18.626 1.00 63.44 H new ATOM 0 HD13 LEU A 40 -6.300 5.255 -17.955 1.00 63.44 H new ATOM 0 HD21 LEU A 40 -3.384 4.587 -18.646 1.00 62.10 H new ATOM 0 HD22 LEU A 40 -3.915 5.245 -17.081 1.00 62.10 H new ATOM 0 HD23 LEU A 40 -2.988 3.727 -17.139 1.00 62.10 H new ATOM 631 N ILE A 41 -4.821 2.502 -13.125 1.00 21.11 N ATOM 632 CA ILE A 41 -5.351 2.233 -11.818 1.00 23.02 C ATOM 633 C ILE A 41 -5.969 3.494 -11.241 1.00 2.32 C ATOM 634 O ILE A 41 -5.354 4.570 -11.284 1.00 65.01 O ATOM 635 CB ILE A 41 -4.251 1.695 -10.876 1.00 34.42 C ATOM 636 CG1 ILE A 41 -3.563 0.490 -11.548 1.00 30.54 C ATOM 637 CG2 ILE A 41 -4.850 1.324 -9.521 1.00 45.15 C ATOM 638 CD1 ILE A 41 -2.622 -0.302 -10.682 1.00 0.04 C ATOM 0 H ILE A 41 -4.007 3.116 -13.130 1.00 21.11 H new ATOM 0 HA ILE A 41 -6.122 1.467 -11.909 1.00 23.02 H new ATOM 0 HB ILE A 41 -3.501 2.465 -10.696 1.00 34.42 H new ATOM 0 HG12 ILE A 41 -4.336 -0.183 -11.920 1.00 30.54 H new ATOM 0 HG13 ILE A 41 -3.010 0.850 -12.415 1.00 30.54 H new ATOM 0 HG21 ILE A 41 -4.064 0.946 -8.867 1.00 45.15 H new ATOM 0 HG22 ILE A 41 -5.304 2.206 -9.070 1.00 45.15 H new ATOM 0 HG23 ILE A 41 -5.610 0.554 -9.657 1.00 45.15 H new ATOM 0 HD11 ILE A 41 -2.199 -1.123 -11.261 1.00 0.04 H new ATOM 0 HD12 ILE A 41 -1.819 0.346 -10.330 1.00 0.04 H new ATOM 0 HD13 ILE A 41 -3.165 -0.704 -9.827 1.00 0.04 H new ATOM 650 N ARG A 42 -7.178 3.371 -10.718 1.00 61.43 N ATOM 651 CA ARG A 42 -7.896 4.475 -10.210 1.00 54.00 C ATOM 652 C ARG A 42 -7.280 5.010 -8.944 1.00 40.31 C ATOM 653 O ARG A 42 -6.922 4.257 -8.039 1.00 72.05 O ATOM 654 CB ARG A 42 -9.299 4.084 -9.933 1.00 3.45 C ATOM 655 CG ARG A 42 -10.187 5.267 -9.855 1.00 3.24 C ATOM 656 CD ARG A 42 -11.576 4.856 -9.646 1.00 70.04 C ATOM 657 NE ARG A 42 -11.855 4.455 -8.257 1.00 50.23 N ATOM 658 CZ ARG A 42 -13.085 4.403 -7.710 1.00 60.25 C ATOM 659 NH1 ARG A 42 -14.163 4.657 -8.449 1.00 33.13 N ATOM 660 NH2 ARG A 42 -13.221 4.102 -6.428 1.00 71.44 N ATOM 0 H ARG A 42 -7.673 2.482 -10.644 1.00 61.43 H new ATOM 0 HA ARG A 42 -7.863 5.258 -10.967 1.00 54.00 H new ATOM 0 HB2 ARG A 42 -9.652 3.414 -10.716 1.00 3.45 H new ATOM 0 HB3 ARG A 42 -9.345 3.531 -8.995 1.00 3.45 H new ATOM 0 HG2 ARG A 42 -9.867 5.915 -9.039 1.00 3.24 H new ATOM 0 HG3 ARG A 42 -10.108 5.849 -10.774 1.00 3.24 H new ATOM 0 HD2 ARG A 42 -12.237 5.678 -9.921 1.00 70.04 H new ATOM 0 HD3 ARG A 42 -11.807 4.024 -10.312 1.00 70.04 H new ATOM 0 HE ARG A 42 -11.062 4.199 -7.668 1.00 50.23 H new ATOM 0 HH11 ARG A 42 -14.061 4.893 -9.436 1.00 33.13 H new ATOM 0 HH12 ARG A 42 -15.091 4.616 -8.028 1.00 33.13 H new ATOM 0 HH21 ARG A 42 -12.396 3.911 -5.859 1.00 71.44 H new ATOM 0 HH22 ARG A 42 -14.150 4.061 -6.009 1.00 71.44 H new ATOM 674 N THR A 43 -7.172 6.285 -8.894 1.00 54.42 N ATOM 675 CA THR A 43 -6.644 6.988 -7.783 1.00 54.22 C ATOM 676 C THR A 43 -7.579 8.156 -7.500 1.00 30.14 C ATOM 677 O THR A 43 -8.300 8.596 -8.404 1.00 13.41 O ATOM 678 CB THR A 43 -5.191 7.479 -8.084 1.00 54.35 C ATOM 679 OG1 THR A 43 -4.588 8.075 -6.930 1.00 52.42 O ATOM 680 CG2 THR A 43 -5.160 8.478 -9.224 1.00 43.04 C ATOM 0 H THR A 43 -7.461 6.895 -9.659 1.00 54.42 H new ATOM 0 HA THR A 43 -6.581 6.341 -6.908 1.00 54.22 H new ATOM 0 HB THR A 43 -4.623 6.594 -8.371 1.00 54.35 H new ATOM 0 HG1 THR A 43 -3.680 8.370 -7.151 1.00 52.42 H new ATOM 0 HG21 THR A 43 -4.132 8.795 -9.402 1.00 43.04 H new ATOM 0 HG22 THR A 43 -5.558 8.013 -10.126 1.00 43.04 H new ATOM 0 HG23 THR A 43 -5.767 9.345 -8.965 1.00 43.04 H new ATOM 688 N LYS A 44 -7.615 8.639 -6.284 1.00 53.33 N ATOM 689 CA LYS A 44 -8.464 9.771 -5.997 1.00 32.41 C ATOM 690 C LYS A 44 -7.550 10.948 -5.857 1.00 63.13 C ATOM 691 O LYS A 44 -6.767 11.031 -4.913 1.00 32.53 O ATOM 692 CB LYS A 44 -9.244 9.597 -4.683 1.00 71.44 C ATOM 693 CG LYS A 44 -10.056 8.321 -4.547 1.00 53.15 C ATOM 694 CD LYS A 44 -10.892 8.372 -3.274 1.00 2.11 C ATOM 695 CE LYS A 44 -11.583 7.056 -2.963 1.00 22.41 C ATOM 696 NZ LYS A 44 -12.407 6.555 -4.078 1.00 11.04 N ATOM 0 H LYS A 44 -7.081 8.278 -5.493 1.00 53.33 H new ATOM 0 HA LYS A 44 -9.199 9.889 -6.793 1.00 32.41 H new ATOM 0 HB2 LYS A 44 -8.535 9.641 -3.856 1.00 71.44 H new ATOM 0 HB3 LYS A 44 -9.919 10.446 -4.571 1.00 71.44 H new ATOM 0 HG2 LYS A 44 -10.705 8.198 -5.414 1.00 53.15 H new ATOM 0 HG3 LYS A 44 -9.391 7.457 -4.522 1.00 53.15 H new ATOM 0 HD2 LYS A 44 -10.251 8.646 -2.436 1.00 2.11 H new ATOM 0 HD3 LYS A 44 -11.643 9.156 -3.371 1.00 2.11 H new ATOM 0 HE2 LYS A 44 -10.831 6.309 -2.711 1.00 22.41 H new ATOM 0 HE3 LYS A 44 -12.213 7.183 -2.083 1.00 22.41 H new ATOM 0 HZ1 LYS A 44 -13.331 6.246 -3.715 1.00 11.04 H new ATOM 0 HZ2 LYS A 44 -12.545 7.314 -4.776 1.00 11.04 H new ATOM 0 HZ3 LYS A 44 -11.927 5.751 -4.531 1.00 11.04 H new ATOM 710 N LYS A 45 -7.624 11.830 -6.804 1.00 52.33 N ATOM 711 CA LYS A 45 -6.711 12.923 -6.892 1.00 70.23 C ATOM 712 C LYS A 45 -7.488 14.212 -7.070 1.00 4.22 C ATOM 713 O LYS A 45 -8.302 14.335 -8.001 1.00 72.42 O ATOM 714 CB LYS A 45 -5.791 12.679 -8.091 1.00 14.54 C ATOM 715 CG LYS A 45 -4.640 13.630 -8.246 1.00 62.11 C ATOM 716 CD LYS A 45 -3.779 13.193 -9.417 1.00 44.34 C ATOM 717 CE LYS A 45 -3.081 11.856 -9.170 1.00 3.42 C ATOM 718 NZ LYS A 45 -2.259 11.441 -10.328 1.00 54.41 N ATOM 0 H LYS A 45 -8.326 11.810 -7.543 1.00 52.33 H new ATOM 0 HA LYS A 45 -6.114 13.004 -5.984 1.00 70.23 H new ATOM 0 HB2 LYS A 45 -5.392 11.667 -8.017 1.00 14.54 H new ATOM 0 HB3 LYS A 45 -6.393 12.719 -8.999 1.00 14.54 H new ATOM 0 HG2 LYS A 45 -5.010 14.642 -8.410 1.00 62.11 H new ATOM 0 HG3 LYS A 45 -4.046 13.652 -7.332 1.00 62.11 H new ATOM 0 HD2 LYS A 45 -4.400 13.115 -10.310 1.00 44.34 H new ATOM 0 HD3 LYS A 45 -3.029 13.958 -9.617 1.00 44.34 H new ATOM 0 HE2 LYS A 45 -2.449 11.934 -8.285 1.00 3.42 H new ATOM 0 HE3 LYS A 45 -3.828 11.090 -8.961 1.00 3.42 H new ATOM 0 HZ1 LYS A 45 -2.139 10.408 -10.316 1.00 54.41 H new ATOM 0 HZ2 LYS A 45 -2.733 11.724 -11.209 1.00 54.41 H new ATOM 0 HZ3 LYS A 45 -1.327 11.898 -10.274 1.00 54.41 H new ATOM 732 N ASP A 46 -7.261 15.150 -6.164 1.00 12.24 N ATOM 733 CA ASP A 46 -7.932 16.464 -6.151 1.00 13.44 C ATOM 734 C ASP A 46 -9.446 16.332 -6.056 1.00 54.12 C ATOM 735 O ASP A 46 -10.193 17.198 -6.517 1.00 30.24 O ATOM 736 CB ASP A 46 -7.535 17.332 -7.365 1.00 14.23 C ATOM 737 CG ASP A 46 -6.102 17.812 -7.313 1.00 40.11 C ATOM 738 OD1 ASP A 46 -5.820 18.789 -6.577 1.00 43.53 O ATOM 739 OD2 ASP A 46 -5.240 17.252 -8.026 1.00 11.31 O ATOM 0 H ASP A 46 -6.597 15.029 -5.400 1.00 12.24 H new ATOM 0 HA ASP A 46 -7.585 16.974 -5.252 1.00 13.44 H new ATOM 0 HB2 ASP A 46 -7.686 16.757 -8.279 1.00 14.23 H new ATOM 0 HB3 ASP A 46 -8.198 18.195 -7.418 1.00 14.23 H new ATOM 744 N GLY A 47 -9.890 15.292 -5.391 1.00 62.33 N ATOM 745 CA GLY A 47 -11.297 15.095 -5.169 1.00 32.20 C ATOM 746 C GLY A 47 -11.991 14.350 -6.287 1.00 21.02 C ATOM 747 O GLY A 47 -13.210 14.203 -6.268 1.00 52.44 O ATOM 0 H GLY A 47 -9.292 14.568 -4.994 1.00 62.33 H new ATOM 0 HA2 GLY A 47 -11.435 14.546 -4.238 1.00 32.20 H new ATOM 0 HA3 GLY A 47 -11.775 16.066 -5.040 1.00 32.20 H new ATOM 751 N LYS A 48 -11.238 13.876 -7.253 1.00 73.52 N ATOM 752 CA LYS A 48 -11.818 13.146 -8.369 1.00 70.41 C ATOM 753 C LYS A 48 -11.101 11.826 -8.555 1.00 3.31 C ATOM 754 O LYS A 48 -9.892 11.742 -8.347 1.00 25.33 O ATOM 755 CB LYS A 48 -11.713 13.962 -9.666 1.00 13.22 C ATOM 756 CG LYS A 48 -12.418 15.307 -9.629 1.00 0.13 C ATOM 757 CD LYS A 48 -12.264 16.039 -10.950 1.00 73.12 C ATOM 758 CE LYS A 48 -12.955 17.398 -10.932 1.00 75.24 C ATOM 759 NZ LYS A 48 -14.412 17.287 -10.682 1.00 62.14 N ATOM 0 H LYS A 48 -10.224 13.980 -7.293 1.00 73.52 H new ATOM 0 HA LYS A 48 -12.870 12.966 -8.146 1.00 70.41 H new ATOM 0 HB2 LYS A 48 -10.659 14.126 -9.892 1.00 13.22 H new ATOM 0 HB3 LYS A 48 -12.127 13.373 -10.484 1.00 13.22 H new ATOM 0 HG2 LYS A 48 -13.476 15.161 -9.411 1.00 0.13 H new ATOM 0 HG3 LYS A 48 -12.008 15.915 -8.823 1.00 0.13 H new ATOM 0 HD2 LYS A 48 -11.205 16.173 -11.169 1.00 73.12 H new ATOM 0 HD3 LYS A 48 -12.681 15.431 -11.753 1.00 73.12 H new ATOM 0 HE2 LYS A 48 -12.503 18.022 -10.161 1.00 75.24 H new ATOM 0 HE3 LYS A 48 -12.790 17.899 -11.886 1.00 75.24 H new ATOM 0 HZ1 LYS A 48 -14.866 18.205 -10.862 1.00 62.14 H new ATOM 0 HZ2 LYS A 48 -14.819 16.569 -11.315 1.00 62.14 H new ATOM 0 HZ3 LYS A 48 -14.574 17.009 -9.693 1.00 62.14 H new ATOM 773 N GLN A 49 -11.832 10.802 -8.923 1.00 21.35 N ATOM 774 CA GLN A 49 -11.235 9.532 -9.198 1.00 32.32 C ATOM 775 C GLN A 49 -10.740 9.548 -10.613 1.00 30.01 C ATOM 776 O GLN A 49 -11.525 9.747 -11.546 1.00 23.02 O ATOM 777 CB GLN A 49 -12.226 8.367 -9.037 1.00 33.33 C ATOM 778 CG GLN A 49 -12.754 8.081 -7.627 1.00 34.41 C ATOM 779 CD GLN A 49 -13.591 9.187 -7.034 1.00 62.43 C ATOM 780 OE1 GLN A 49 -13.081 10.068 -6.351 1.00 42.13 O ATOM 781 NE2 GLN A 49 -14.862 9.158 -7.306 1.00 4.30 N ATOM 0 H GLN A 49 -12.845 10.831 -9.037 1.00 21.35 H new ATOM 0 HA GLN A 49 -10.427 9.376 -8.483 1.00 32.32 H new ATOM 0 HB2 GLN A 49 -13.081 8.560 -9.684 1.00 33.33 H new ATOM 0 HB3 GLN A 49 -11.745 7.462 -9.407 1.00 33.33 H new ATOM 0 HG2 GLN A 49 -13.349 7.168 -7.654 1.00 34.41 H new ATOM 0 HG3 GLN A 49 -11.907 7.891 -6.968 1.00 34.41 H new ATOM 0 HE21 GLN A 49 -15.244 8.405 -7.879 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -15.477 9.888 -6.947 1.00 4.30 H new ATOM 790 N VAL A 50 -9.478 9.352 -10.787 1.00 32.33 N ATOM 791 CA VAL A 50 -8.896 9.358 -12.096 1.00 12.04 C ATOM 792 C VAL A 50 -8.123 8.090 -12.310 1.00 55.31 C ATOM 793 O VAL A 50 -7.770 7.404 -11.344 1.00 43.31 O ATOM 794 CB VAL A 50 -7.975 10.599 -12.341 1.00 54.42 C ATOM 795 CG1 VAL A 50 -8.778 11.894 -12.296 1.00 41.10 C ATOM 796 CG2 VAL A 50 -6.845 10.653 -11.321 1.00 21.15 C ATOM 0 H VAL A 50 -8.816 9.183 -10.030 1.00 32.33 H new ATOM 0 HA VAL A 50 -9.712 9.424 -12.815 1.00 12.04 H new ATOM 0 HB VAL A 50 -7.541 10.492 -13.335 1.00 54.42 H new ATOM 0 HG11 VAL A 50 -8.113 12.740 -12.469 1.00 41.10 H new ATOM 0 HG12 VAL A 50 -9.547 11.872 -13.068 1.00 41.10 H new ATOM 0 HG13 VAL A 50 -9.249 11.996 -11.318 1.00 41.10 H new ATOM 0 HG21 VAL A 50 -6.221 11.525 -11.515 1.00 21.15 H new ATOM 0 HG22 VAL A 50 -7.264 10.723 -10.317 1.00 21.15 H new ATOM 0 HG23 VAL A 50 -6.240 9.750 -11.400 1.00 21.15 H new ATOM 806 N TRP A 51 -7.879 7.770 -13.535 1.00 73.31 N ATOM 807 CA TRP A 51 -7.119 6.618 -13.870 1.00 21.04 C ATOM 808 C TRP A 51 -5.677 7.035 -14.067 1.00 62.13 C ATOM 809 O TRP A 51 -5.376 7.876 -14.918 1.00 61.11 O ATOM 810 CB TRP A 51 -7.673 5.985 -15.147 1.00 1.24 C ATOM 811 CG TRP A 51 -9.078 5.515 -15.046 1.00 11.11 C ATOM 812 CD1 TRP A 51 -10.129 6.058 -15.663 1.00 23.21 C ATOM 813 CD2 TRP A 51 -9.579 4.407 -14.287 1.00 42.55 C ATOM 814 NE1 TRP A 51 -11.275 5.377 -15.353 1.00 44.52 N ATOM 815 CE2 TRP A 51 -10.964 4.353 -14.506 1.00 74.41 C ATOM 816 CE3 TRP A 51 -8.995 3.461 -13.450 1.00 63.14 C ATOM 817 CZ2 TRP A 51 -11.778 3.387 -13.919 1.00 63.15 C ATOM 818 CZ3 TRP A 51 -9.803 2.502 -12.868 1.00 64.22 C ATOM 819 CH2 TRP A 51 -11.179 2.472 -13.106 1.00 61.22 C ATOM 0 H TRP A 51 -8.205 8.307 -14.339 1.00 73.31 H new ATOM 0 HA TRP A 51 -7.179 5.880 -13.070 1.00 21.04 H new ATOM 0 HB2 TRP A 51 -7.604 6.712 -15.956 1.00 1.24 H new ATOM 0 HB3 TRP A 51 -7.040 5.141 -15.422 1.00 1.24 H new ATOM 0 HD1 TRP A 51 -10.082 6.916 -16.317 1.00 23.21 H new ATOM 0 HE1 TRP A 51 -12.209 5.599 -15.698 1.00 44.52 H new ATOM 0 HE3 TRP A 51 -7.932 3.476 -13.259 1.00 63.14 H new ATOM 0 HZ2 TRP A 51 -12.842 3.364 -14.101 1.00 63.15 H new ATOM 0 HZ3 TRP A 51 -9.362 1.762 -12.217 1.00 64.22 H new ATOM 0 HH2 TRP A 51 -11.781 1.708 -12.636 1.00 61.22 H new ATOM 830 N GLU A 52 -4.804 6.463 -13.284 1.00 3.11 N ATOM 831 CA GLU A 52 -3.400 6.790 -13.321 1.00 42.41 C ATOM 832 C GLU A 52 -2.641 5.569 -13.796 1.00 34.22 C ATOM 833 O GLU A 52 -2.991 4.442 -13.441 1.00 31.10 O ATOM 834 CB GLU A 52 -2.931 7.186 -11.915 1.00 13.23 C ATOM 835 CG GLU A 52 -1.469 7.585 -11.815 1.00 54.00 C ATOM 836 CD GLU A 52 -1.047 7.865 -10.393 1.00 51.10 C ATOM 837 OE1 GLU A 52 -1.275 8.994 -9.886 1.00 23.22 O ATOM 838 OE2 GLU A 52 -0.485 6.958 -9.750 1.00 1.21 O ATOM 0 H GLU A 52 -5.046 5.750 -12.596 1.00 3.11 H new ATOM 0 HA GLU A 52 -3.220 7.625 -13.998 1.00 42.41 H new ATOM 0 HB2 GLU A 52 -3.544 8.017 -11.564 1.00 13.23 H new ATOM 0 HB3 GLU A 52 -3.111 6.350 -11.239 1.00 13.23 H new ATOM 0 HG2 GLU A 52 -0.849 6.788 -12.225 1.00 54.00 H new ATOM 0 HG3 GLU A 52 -1.294 8.471 -12.425 1.00 54.00 H new ATOM 845 N ALA A 53 -1.628 5.785 -14.591 1.00 20.51 N ATOM 846 CA ALA A 53 -0.868 4.704 -15.165 1.00 72.04 C ATOM 847 C ALA A 53 -0.073 3.952 -14.114 1.00 41.42 C ATOM 848 O ALA A 53 0.463 4.549 -13.161 1.00 20.12 O ATOM 849 CB ALA A 53 0.052 5.227 -16.251 1.00 64.53 C ATOM 0 H ALA A 53 -1.305 6.714 -14.860 1.00 20.51 H new ATOM 0 HA ALA A 53 -1.575 4.001 -15.605 1.00 72.04 H new ATOM 0 HB1 ALA A 53 0.620 4.400 -16.676 1.00 64.53 H new ATOM 0 HB2 ALA A 53 -0.541 5.700 -17.034 1.00 64.53 H new ATOM 0 HB3 ALA A 53 0.739 5.958 -15.825 1.00 64.53 H new ATOM 855 N ALA A 54 -0.035 2.650 -14.264 1.00 71.32 N ATOM 856 CA ALA A 54 0.760 1.794 -13.410 1.00 74.12 C ATOM 857 C ALA A 54 2.246 1.995 -13.716 1.00 14.23 C ATOM 858 O ALA A 54 2.610 2.463 -14.800 1.00 55.11 O ATOM 859 CB ALA A 54 0.362 0.340 -13.615 1.00 34.33 C ATOM 0 H ALA A 54 -0.556 2.150 -14.984 1.00 71.32 H new ATOM 0 HA ALA A 54 0.580 2.056 -12.368 1.00 74.12 H new ATOM 0 HB1 ALA A 54 0.965 -0.297 -12.968 1.00 34.33 H new ATOM 0 HB2 ALA A 54 -0.692 0.213 -13.368 1.00 34.33 H new ATOM 0 HB3 ALA A 54 0.527 0.061 -14.656 1.00 34.33 H new ATOM 865 N SER A 55 3.080 1.642 -12.787 1.00 13.25 N ATOM 866 CA SER A 55 4.492 1.814 -12.928 1.00 30.12 C ATOM 867 C SER A 55 5.103 0.469 -13.129 1.00 14.01 C ATOM 868 O SER A 55 4.555 -0.527 -12.646 1.00 62.24 O ATOM 869 CB SER A 55 5.063 2.459 -11.660 1.00 54.20 C ATOM 870 OG SER A 55 6.465 2.623 -11.744 1.00 25.40 O ATOM 0 H SER A 55 2.797 1.223 -11.902 1.00 13.25 H new ATOM 0 HA SER A 55 4.713 2.460 -13.778 1.00 30.12 H new ATOM 0 HB2 SER A 55 4.592 3.429 -11.501 1.00 54.20 H new ATOM 0 HB3 SER A 55 4.820 1.841 -10.796 1.00 54.20 H new ATOM 0 HG SER A 55 6.796 3.038 -10.920 1.00 25.40 H new ATOM 876 N LYS A 56 6.233 0.418 -13.815 1.00 43.41 N ATOM 877 CA LYS A 56 6.909 -0.835 -14.061 1.00 30.41 C ATOM 878 C LYS A 56 7.337 -1.468 -12.732 1.00 3.03 C ATOM 879 O LYS A 56 7.455 -2.679 -12.623 1.00 31.22 O ATOM 880 CB LYS A 56 8.093 -0.657 -15.026 1.00 14.05 C ATOM 881 CG LYS A 56 8.748 -1.969 -15.435 1.00 35.13 C ATOM 882 CD LYS A 56 9.850 -1.760 -16.458 1.00 53.11 C ATOM 883 CE LYS A 56 10.477 -3.090 -16.856 1.00 25.02 C ATOM 884 NZ LYS A 56 11.537 -2.927 -17.870 1.00 1.21 N ATOM 0 H LYS A 56 6.699 1.235 -14.210 1.00 43.41 H new ATOM 0 HA LYS A 56 6.214 -1.517 -14.551 1.00 30.41 H new ATOM 0 HB2 LYS A 56 7.747 -0.139 -15.920 1.00 14.05 H new ATOM 0 HB3 LYS A 56 8.841 -0.018 -14.556 1.00 14.05 H new ATOM 0 HG2 LYS A 56 9.160 -2.459 -14.553 1.00 35.13 H new ATOM 0 HG3 LYS A 56 7.993 -2.638 -15.847 1.00 35.13 H new ATOM 0 HD2 LYS A 56 9.444 -1.265 -17.341 1.00 53.11 H new ATOM 0 HD3 LYS A 56 10.614 -1.101 -16.046 1.00 53.11 H new ATOM 0 HE2 LYS A 56 10.894 -3.572 -15.972 1.00 25.02 H new ATOM 0 HE3 LYS A 56 9.703 -3.752 -17.245 1.00 25.02 H new ATOM 0 HZ1 LYS A 56 11.934 -3.858 -18.110 1.00 1.21 H new ATOM 0 HZ2 LYS A 56 11.136 -2.491 -18.725 1.00 1.21 H new ATOM 0 HZ3 LYS A 56 12.289 -2.317 -17.491 1.00 1.21 H new ATOM 898 N THR A 57 7.522 -0.629 -11.720 1.00 53.24 N ATOM 899 CA THR A 57 7.850 -1.080 -10.392 1.00 13.30 C ATOM 900 C THR A 57 6.695 -1.958 -9.828 1.00 54.31 C ATOM 901 O THR A 57 6.912 -3.104 -9.423 1.00 14.25 O ATOM 902 CB THR A 57 8.078 0.137 -9.477 1.00 64.14 C ATOM 903 OG1 THR A 57 9.046 1.003 -10.092 1.00 2.14 O ATOM 904 CG2 THR A 57 8.593 -0.297 -8.115 1.00 40.44 C ATOM 0 H THR A 57 7.446 0.384 -11.807 1.00 53.24 H new ATOM 0 HA THR A 57 8.761 -1.678 -10.430 1.00 13.30 H new ATOM 0 HB THR A 57 7.130 0.656 -9.339 1.00 64.14 H new ATOM 0 HG1 THR A 57 9.198 1.783 -9.519 1.00 2.14 H new ATOM 0 HG21 THR A 57 8.746 0.581 -7.487 1.00 40.44 H new ATOM 0 HG22 THR A 57 7.865 -0.957 -7.644 1.00 40.44 H new ATOM 0 HG23 THR A 57 9.538 -0.826 -8.235 1.00 40.44 H new ATOM 912 N ALA A 58 5.471 -1.420 -9.851 1.00 71.01 N ATOM 913 CA ALA A 58 4.300 -2.144 -9.352 1.00 34.14 C ATOM 914 C ALA A 58 3.941 -3.281 -10.284 1.00 74.52 C ATOM 915 O ALA A 58 3.508 -4.350 -9.841 1.00 62.34 O ATOM 916 CB ALA A 58 3.115 -1.216 -9.180 1.00 22.21 C ATOM 0 H ALA A 58 5.267 -0.487 -10.209 1.00 71.01 H new ATOM 0 HA ALA A 58 4.555 -2.556 -8.375 1.00 34.14 H new ATOM 0 HB1 ALA A 58 2.261 -1.782 -8.808 1.00 22.21 H new ATOM 0 HB2 ALA A 58 3.368 -0.431 -8.467 1.00 22.21 H new ATOM 0 HB3 ALA A 58 2.862 -0.766 -10.140 1.00 22.21 H new ATOM 922 N LEU A 59 4.117 -3.052 -11.577 1.00 43.31 N ATOM 923 CA LEU A 59 3.886 -4.068 -12.569 1.00 15.15 C ATOM 924 C LEU A 59 4.802 -5.270 -12.313 1.00 73.53 C ATOM 925 O LEU A 59 4.352 -6.400 -12.298 1.00 34.24 O ATOM 926 CB LEU A 59 4.101 -3.506 -13.992 1.00 52.22 C ATOM 927 CG LEU A 59 3.098 -2.466 -14.502 1.00 33.44 C ATOM 928 CD1 LEU A 59 3.592 -1.860 -15.809 1.00 0.32 C ATOM 929 CD2 LEU A 59 1.770 -3.119 -14.757 1.00 4.42 C ATOM 0 H LEU A 59 4.423 -2.157 -11.958 1.00 43.31 H new ATOM 0 HA LEU A 59 2.850 -4.398 -12.495 1.00 15.15 H new ATOM 0 HB2 LEU A 59 5.095 -3.061 -14.031 1.00 52.22 H new ATOM 0 HB3 LEU A 59 4.099 -4.345 -14.688 1.00 52.22 H new ATOM 0 HG LEU A 59 2.995 -1.688 -13.746 1.00 33.44 H new ATOM 0 HD11 LEU A 59 2.872 -1.122 -16.163 1.00 0.32 H new ATOM 0 HD12 LEU A 59 4.555 -1.377 -15.645 1.00 0.32 H new ATOM 0 HD13 LEU A 59 3.703 -2.646 -16.556 1.00 0.32 H new ATOM 0 HD21 LEU A 59 1.062 -2.374 -15.119 1.00 4.42 H new ATOM 0 HD22 LEU A 59 1.888 -3.902 -15.506 1.00 4.42 H new ATOM 0 HD23 LEU A 59 1.395 -3.556 -13.831 1.00 4.42 H new ATOM 941 N LYS A 60 6.074 -5.010 -12.052 1.00 23.43 N ATOM 942 CA LYS A 60 7.029 -6.080 -11.812 1.00 22.54 C ATOM 943 C LYS A 60 6.643 -6.893 -10.570 1.00 55.41 C ATOM 944 O LYS A 60 6.791 -8.109 -10.553 1.00 41.42 O ATOM 945 CB LYS A 60 8.458 -5.532 -11.692 1.00 1.52 C ATOM 946 CG LYS A 60 9.527 -6.596 -11.556 1.00 24.22 C ATOM 947 CD LYS A 60 9.536 -7.527 -12.764 1.00 51.11 C ATOM 948 CE LYS A 60 10.619 -8.567 -12.638 1.00 3.31 C ATOM 949 NZ LYS A 60 10.635 -9.502 -13.776 1.00 31.32 N ATOM 0 H LYS A 60 6.468 -4.070 -12.001 1.00 23.43 H new ATOM 0 HA LYS A 60 7.002 -6.749 -12.672 1.00 22.54 H new ATOM 0 HB2 LYS A 60 8.676 -4.925 -12.571 1.00 1.52 H new ATOM 0 HB3 LYS A 60 8.509 -4.870 -10.827 1.00 1.52 H new ATOM 0 HG2 LYS A 60 10.503 -6.123 -11.451 1.00 24.22 H new ATOM 0 HG3 LYS A 60 9.354 -7.175 -10.649 1.00 24.22 H new ATOM 0 HD2 LYS A 60 8.566 -8.016 -12.857 1.00 51.11 H new ATOM 0 HD3 LYS A 60 9.689 -6.946 -13.674 1.00 51.11 H new ATOM 0 HE2 LYS A 60 11.587 -8.072 -12.564 1.00 3.31 H new ATOM 0 HE3 LYS A 60 10.476 -9.127 -11.714 1.00 3.31 H new ATOM 0 HZ1 LYS A 60 11.397 -10.198 -13.643 1.00 31.32 H new ATOM 0 HZ2 LYS A 60 9.721 -9.996 -13.833 1.00 31.32 H new ATOM 0 HZ3 LYS A 60 10.798 -8.974 -14.657 1.00 31.32 H new ATOM 963 N LYS A 61 6.126 -6.217 -9.551 1.00 1.52 N ATOM 964 CA LYS A 61 5.676 -6.895 -8.334 1.00 72.40 C ATOM 965 C LYS A 61 4.462 -7.783 -8.630 1.00 21.30 C ATOM 966 O LYS A 61 4.337 -8.892 -8.097 1.00 63.31 O ATOM 967 CB LYS A 61 5.344 -5.885 -7.229 1.00 22.42 C ATOM 968 CG LYS A 61 6.518 -5.010 -6.826 1.00 61.51 C ATOM 969 CD LYS A 61 6.165 -4.088 -5.674 1.00 44.32 C ATOM 970 CE LYS A 61 7.359 -3.239 -5.272 1.00 52.33 C ATOM 971 NZ LYS A 61 7.076 -2.393 -4.091 1.00 52.35 N ATOM 0 H LYS A 61 6.007 -5.204 -9.540 1.00 1.52 H new ATOM 0 HA LYS A 61 6.491 -7.526 -7.981 1.00 72.40 H new ATOM 0 HB2 LYS A 61 4.527 -5.248 -7.566 1.00 22.42 H new ATOM 0 HB3 LYS A 61 4.987 -6.424 -6.352 1.00 22.42 H new ATOM 0 HG2 LYS A 61 7.360 -5.641 -6.542 1.00 61.51 H new ATOM 0 HG3 LYS A 61 6.839 -4.416 -7.682 1.00 61.51 H new ATOM 0 HD2 LYS A 61 5.335 -3.442 -5.961 1.00 44.32 H new ATOM 0 HD3 LYS A 61 5.830 -4.678 -4.821 1.00 44.32 H new ATOM 0 HE2 LYS A 61 8.207 -3.889 -5.056 1.00 52.33 H new ATOM 0 HE3 LYS A 61 7.649 -2.604 -6.109 1.00 52.33 H new ATOM 0 HZ1 LYS A 61 7.920 -1.833 -3.855 1.00 52.35 H new ATOM 0 HZ2 LYS A 61 6.284 -1.753 -4.304 1.00 52.35 H new ATOM 0 HZ3 LYS A 61 6.825 -2.998 -3.283 1.00 52.35 H new ATOM 985 N SER A 62 3.591 -7.292 -9.489 1.00 51.35 N ATOM 986 CA SER A 62 2.407 -8.014 -9.909 1.00 5.02 C ATOM 987 C SER A 62 2.805 -9.246 -10.733 1.00 52.54 C ATOM 988 O SER A 62 2.299 -10.350 -10.508 1.00 40.00 O ATOM 989 CB SER A 62 1.532 -7.073 -10.732 1.00 24.31 C ATOM 990 OG SER A 62 1.236 -5.900 -9.976 1.00 63.41 O ATOM 0 H SER A 62 3.686 -6.372 -9.919 1.00 51.35 H new ATOM 0 HA SER A 62 1.850 -8.360 -9.038 1.00 5.02 H new ATOM 0 HB2 SER A 62 2.043 -6.802 -11.656 1.00 24.31 H new ATOM 0 HB3 SER A 62 0.608 -7.576 -11.015 1.00 24.31 H new ATOM 0 HG SER A 62 1.987 -5.273 -10.037 1.00 63.41 H new ATOM 996 N TRP A 63 3.756 -9.060 -11.643 1.00 3.12 N ATOM 997 CA TRP A 63 4.204 -10.114 -12.510 1.00 15.25 C ATOM 998 C TRP A 63 5.053 -11.125 -11.747 1.00 3.53 C ATOM 999 O TRP A 63 5.097 -12.289 -12.092 1.00 5.32 O ATOM 1000 CB TRP A 63 4.957 -9.537 -13.701 1.00 35.21 C ATOM 1001 CG TRP A 63 5.355 -10.560 -14.703 1.00 65.01 C ATOM 1002 CD1 TRP A 63 6.583 -11.098 -14.852 1.00 43.01 C ATOM 1003 CD2 TRP A 63 4.506 -11.191 -15.675 1.00 64.41 C ATOM 1004 NE1 TRP A 63 6.575 -12.012 -15.883 1.00 3.13 N ATOM 1005 CE2 TRP A 63 5.301 -12.087 -16.399 1.00 21.45 C ATOM 1006 CE3 TRP A 63 3.146 -11.071 -16.004 1.00 2.40 C ATOM 1007 CZ2 TRP A 63 4.789 -12.868 -17.435 1.00 32.53 C ATOM 1008 CZ3 TRP A 63 2.636 -11.850 -17.031 1.00 23.12 C ATOM 1009 CH2 TRP A 63 3.456 -12.737 -17.734 1.00 35.25 C ATOM 0 H TRP A 63 4.230 -8.169 -11.790 1.00 3.12 H new ATOM 0 HA TRP A 63 3.331 -10.645 -12.890 1.00 15.25 H new ATOM 0 HB2 TRP A 63 4.332 -8.787 -14.187 1.00 35.21 H new ATOM 0 HB3 TRP A 63 5.850 -9.024 -13.343 1.00 35.21 H new ATOM 0 HD1 TRP A 63 7.445 -10.849 -14.252 1.00 43.01 H new ATOM 0 HE1 TRP A 63 7.381 -12.545 -16.210 1.00 3.13 H new ATOM 0 HE3 TRP A 63 2.509 -10.384 -15.467 1.00 2.40 H new ATOM 0 HZ2 TRP A 63 5.420 -13.552 -17.983 1.00 32.53 H new ATOM 0 HZ3 TRP A 63 1.591 -11.770 -17.291 1.00 23.12 H new ATOM 0 HH2 TRP A 63 3.032 -13.332 -18.529 1.00 35.25 H new ATOM 1020 N LYS A 64 5.722 -10.677 -10.706 1.00 2.52 N ATOM 1021 CA LYS A 64 6.505 -11.566 -9.868 1.00 31.55 C ATOM 1022 C LYS A 64 5.605 -12.654 -9.266 1.00 42.13 C ATOM 1023 O LYS A 64 5.998 -13.811 -9.134 1.00 52.33 O ATOM 1024 CB LYS A 64 7.173 -10.781 -8.764 1.00 2.11 C ATOM 1025 CG LYS A 64 8.058 -11.628 -7.886 1.00 11.54 C ATOM 1026 CD LYS A 64 8.692 -10.808 -6.803 1.00 23.14 C ATOM 1027 CE LYS A 64 9.660 -9.759 -7.350 1.00 51.35 C ATOM 1028 NZ LYS A 64 10.775 -10.377 -8.093 1.00 20.34 N ATOM 0 H LYS A 64 5.740 -9.699 -10.417 1.00 2.52 H new ATOM 0 HA LYS A 64 7.272 -12.041 -10.480 1.00 31.55 H new ATOM 0 HB2 LYS A 64 7.768 -9.981 -9.204 1.00 2.11 H new ATOM 0 HB3 LYS A 64 6.408 -10.308 -8.149 1.00 2.11 H new ATOM 0 HG2 LYS A 64 7.471 -12.432 -7.441 1.00 11.54 H new ATOM 0 HG3 LYS A 64 8.833 -12.097 -8.492 1.00 11.54 H new ATOM 0 HD2 LYS A 64 7.913 -10.311 -6.225 1.00 23.14 H new ATOM 0 HD3 LYS A 64 9.225 -11.467 -6.118 1.00 23.14 H new ATOM 0 HE2 LYS A 64 9.122 -9.074 -8.005 1.00 51.35 H new ATOM 0 HE3 LYS A 64 10.057 -9.166 -6.526 1.00 51.35 H new ATOM 0 HZ1 LYS A 64 11.525 -9.672 -8.243 1.00 20.34 H new ATOM 0 HZ2 LYS A 64 11.155 -11.177 -7.547 1.00 20.34 H new ATOM 0 HZ3 LYS A 64 10.432 -10.718 -9.014 1.00 20.34 H new ATOM 1042 N ARG A 65 4.381 -12.267 -8.943 1.00 22.54 N ATOM 1043 CA ARG A 65 3.396 -13.176 -8.377 1.00 74.34 C ATOM 1044 C ARG A 65 2.904 -14.137 -9.483 1.00 62.35 C ATOM 1045 O ARG A 65 2.487 -15.256 -9.221 1.00 35.01 O ATOM 1046 CB ARG A 65 2.224 -12.373 -7.825 1.00 74.41 C ATOM 1047 CG ARG A 65 1.255 -13.158 -6.954 1.00 24.21 C ATOM 1048 CD ARG A 65 0.061 -12.302 -6.563 1.00 32.53 C ATOM 1049 NE ARG A 65 0.457 -11.021 -5.948 1.00 71.51 N ATOM 1050 CZ ARG A 65 -0.396 -10.095 -5.474 1.00 32.33 C ATOM 1051 NH1 ARG A 65 -1.705 -10.322 -5.477 1.00 1.33 N ATOM 1052 NH2 ARG A 65 0.076 -8.944 -5.002 1.00 2.21 N ATOM 0 H ARG A 65 4.042 -11.313 -9.066 1.00 22.54 H new ATOM 0 HA ARG A 65 3.843 -13.753 -7.568 1.00 74.34 H new ATOM 0 HB2 ARG A 65 2.617 -11.539 -7.243 1.00 74.41 H new ATOM 0 HB3 ARG A 65 1.671 -11.945 -8.661 1.00 74.41 H new ATOM 0 HG2 ARG A 65 0.913 -14.043 -7.490 1.00 24.21 H new ATOM 0 HG3 ARG A 65 1.767 -13.507 -6.057 1.00 24.21 H new ATOM 0 HD2 ARG A 65 -0.544 -12.104 -7.448 1.00 32.53 H new ATOM 0 HD3 ARG A 65 -0.566 -12.857 -5.865 1.00 32.53 H new ATOM 0 HE ARG A 65 1.455 -10.822 -5.877 1.00 71.51 H new ATOM 0 HH11 ARG A 65 -2.069 -11.203 -5.840 1.00 1.33 H new ATOM 0 HH12 ARG A 65 -2.346 -9.615 -5.116 1.00 1.33 H new ATOM 0 HH21 ARG A 65 1.081 -8.767 -5.001 1.00 2.21 H new ATOM 0 HH22 ARG A 65 -0.567 -8.239 -4.642 1.00 2.21 H new ATOM 1066 N TYR A 66 2.949 -13.665 -10.708 1.00 21.20 N ATOM 1067 CA TYR A 66 2.566 -14.446 -11.871 1.00 1.04 C ATOM 1068 C TYR A 66 3.646 -15.533 -12.071 1.00 31.44 C ATOM 1069 O TYR A 66 3.342 -16.721 -12.282 1.00 34.23 O ATOM 1070 CB TYR A 66 2.520 -13.493 -13.072 1.00 51.03 C ATOM 1071 CG TYR A 66 1.809 -14.007 -14.284 1.00 50.35 C ATOM 1072 CD1 TYR A 66 2.346 -15.001 -15.061 1.00 25.43 C ATOM 1073 CD2 TYR A 66 0.581 -13.482 -14.646 1.00 42.44 C ATOM 1074 CE1 TYR A 66 1.695 -15.466 -16.171 1.00 61.41 C ATOM 1075 CE2 TYR A 66 -0.083 -13.933 -15.756 1.00 54.21 C ATOM 1076 CZ TYR A 66 0.477 -14.935 -16.520 1.00 53.15 C ATOM 1077 OH TYR A 66 -0.181 -15.410 -17.641 1.00 73.24 O ATOM 0 H TYR A 66 3.255 -12.718 -10.932 1.00 21.20 H new ATOM 0 HA TYR A 66 1.592 -14.922 -11.754 1.00 1.04 H new ATOM 0 HB2 TYR A 66 2.040 -12.566 -12.758 1.00 51.03 H new ATOM 0 HB3 TYR A 66 3.543 -13.243 -13.353 1.00 51.03 H new ATOM 0 HD1 TYR A 66 3.302 -15.425 -14.791 1.00 25.43 H new ATOM 0 HD2 TYR A 66 0.138 -12.703 -14.043 1.00 42.44 H new ATOM 0 HE1 TYR A 66 2.137 -16.248 -16.771 1.00 61.41 H new ATOM 0 HE2 TYR A 66 -1.037 -13.507 -16.030 1.00 54.21 H new ATOM 0 HH TYR A 66 -1.029 -14.932 -17.749 1.00 73.24 H new ATOM 1087 N GLU A 67 4.908 -15.101 -11.959 1.00 1.42 N ATOM 1088 CA GLU A 67 6.095 -15.971 -12.051 1.00 54.22 C ATOM 1089 C GLU A 67 6.085 -16.999 -10.994 1.00 5.51 C ATOM 1090 O GLU A 67 6.211 -18.176 -11.285 1.00 5.24 O ATOM 1091 CB GLU A 67 7.350 -15.135 -11.842 1.00 31.43 C ATOM 1092 CG GLU A 67 7.561 -14.104 -12.879 1.00 33.41 C ATOM 1093 CD GLU A 67 8.017 -14.699 -14.189 1.00 13.13 C ATOM 1094 OE1 GLU A 67 7.222 -15.335 -14.893 1.00 22.23 O ATOM 1095 OE2 GLU A 67 9.220 -14.570 -14.513 1.00 3.12 O ATOM 0 H GLU A 67 5.141 -14.121 -11.799 1.00 1.42 H new ATOM 0 HA GLU A 67 6.081 -16.444 -13.033 1.00 54.22 H new ATOM 0 HB2 GLU A 67 7.294 -14.650 -10.867 1.00 31.43 H new ATOM 0 HB3 GLU A 67 8.216 -15.797 -11.819 1.00 31.43 H new ATOM 0 HG2 GLU A 67 6.634 -13.553 -13.035 1.00 33.41 H new ATOM 0 HG3 GLU A 67 8.303 -13.386 -12.530 1.00 33.41 H new ATOM 1102 N GLN A 68 5.903 -16.551 -9.767 1.00 61.44 N ATOM 1103 CA GLN A 68 5.993 -17.407 -8.612 1.00 14.04 C ATOM 1104 C GLN A 68 5.062 -18.620 -8.728 1.00 44.14 C ATOM 1105 O GLN A 68 5.479 -19.733 -8.490 1.00 4.13 O ATOM 1106 CB GLN A 68 5.716 -16.625 -7.319 1.00 21.43 C ATOM 1107 CG GLN A 68 4.274 -16.281 -7.078 1.00 62.32 C ATOM 1108 CD GLN A 68 4.033 -15.577 -5.780 1.00 24.33 C ATOM 1109 OE1 GLN A 68 4.881 -14.840 -5.285 1.00 61.32 O ATOM 1110 NE2 GLN A 68 2.895 -15.836 -5.192 1.00 14.44 N ATOM 0 H GLN A 68 5.688 -15.578 -9.548 1.00 61.44 H new ATOM 0 HA GLN A 68 7.015 -17.783 -8.569 1.00 14.04 H new ATOM 0 HB2 GLN A 68 6.080 -17.210 -6.474 1.00 21.43 H new ATOM 0 HB3 GLN A 68 6.295 -15.702 -7.340 1.00 21.43 H new ATOM 0 HG2 GLN A 68 3.918 -15.652 -7.894 1.00 62.32 H new ATOM 0 HG3 GLN A 68 3.683 -17.196 -7.100 1.00 62.32 H new ATOM 0 HE21 GLN A 68 2.219 -16.455 -5.640 1.00 14.44 H new ATOM 0 HE22 GLN A 68 2.683 -15.420 -4.285 1.00 14.44 H new ATOM 1119 N GLU A 69 3.822 -18.392 -9.155 1.00 11.20 N ATOM 1120 CA GLU A 69 2.840 -19.455 -9.241 1.00 31.11 C ATOM 1121 C GLU A 69 3.219 -20.476 -10.304 1.00 32.05 C ATOM 1122 O GLU A 69 3.079 -21.682 -10.093 1.00 14.44 O ATOM 1123 CB GLU A 69 1.447 -18.888 -9.503 1.00 71.34 C ATOM 1124 CG GLU A 69 0.947 -17.940 -8.419 1.00 44.20 C ATOM 1125 CD GLU A 69 0.865 -18.586 -7.047 1.00 61.51 C ATOM 1126 OE1 GLU A 69 -0.043 -19.411 -6.825 1.00 61.45 O ATOM 1127 OE2 GLU A 69 1.684 -18.247 -6.157 1.00 53.24 O ATOM 0 H GLU A 69 3.479 -17.477 -9.446 1.00 11.20 H new ATOM 0 HA GLU A 69 2.823 -19.969 -8.280 1.00 31.11 H new ATOM 0 HB2 GLU A 69 1.455 -18.360 -10.457 1.00 71.34 H new ATOM 0 HB3 GLU A 69 0.743 -19.714 -9.601 1.00 71.34 H new ATOM 0 HG2 GLU A 69 1.610 -17.076 -8.367 1.00 44.20 H new ATOM 0 HG3 GLU A 69 -0.039 -17.569 -8.698 1.00 44.20 H new